Chol-5-en-24-oic acid,3-hydroxy-, (3b)- supplier

Name
3BETA-HYDROXY-DELTA5-CHOLENIC ACID
EINECS
CAS No. 5255-17-4
Article Data20
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 232°C
Formula C₂₄H₃₈O₃
Boiling Point 522.8 °C at 760 mmHg
Molecular Weight 374.564
Flash Point 284.1 °C
Transport Information
Appearance WHITE TO OFF-WHITE POWDER
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Chol-5-en-24-oicacid, 3b-hydroxy- (8CI);Chol-5-enicacid, 3b-hydroxy- (6CI,7CI);3b-Hydroxy-5-cholenic acid;3b-Hydroxychol-5-en-24-ic acid;3b-Hydroxychol-5-en-24-oic acid;3b-Hydroxychol-5-enoic acid;3b-Hydroxycholenoic acid;Cholenicacid;D5-3b-Hydroxycholenic acid;D5-Cholenic acid;
PSA 57.53000
LogP 5.42720

Synthetic route

: 19462-13-6
3β-acetoxy-5-cholenic acid

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 4h; Ambient temperature;	89.6%

: 20231-57-6
methyl 5-cholenoate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
With water; lithium hydroxide In tetrahydrofuran Inert atmosphere;	80%

: 1184-20-9
methyl 3α,6α-ditosyloxy-5β-cholan-24-oate

: 127-08-2
potassium acetate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
With N,N-dimethyl-formamide Erwaermen des Reaktionsprodukts mit methanol. KOH;

: 83-49-8
Hyodeoxycholic Acid

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 514-50-1
3β-acetoxy-5α,6β-dibromocholestane

A: 853-23-6
prasterone acetate

B: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure und Erwaermen des erhaltenen Reaktionsprodukts mit methanol. Kalilauge;
With chromium(VI) oxide; acetic acid Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure und Erwaermen des erhaltenen Reaktionsprodukts mit wss. Natronlauge;

: 111823-89-3
3β-hydroxy-24-nor-chol-5-ene-23,23-dicarboxylic acid

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
at 200℃;

hyodeoxycholic acid-derivative: hyodeoxycholic acid-derivative

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 2868-48-6
methyl hyodeoxycholate

A: 5255-17-4
3β-hydroxy-5-cholenoic acid

B: 4-(10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid

Conditions

Conditions	Yield
Stage #1: methyl hyodeoxycholate With pyridine; p-toluenesulfonyl chloride Stage #2: With potassium acetate In N,N-dimethyl-formamide at 110℃; Stage #3: With potassium hydroxide In methanol at 110℃;

: 86476-29-1
3β-acetoxy-Δ5-cholenic aldehyde

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C 2: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature View Scheme

: 86476-21-3
24,24-ethylenedioxy-Δ5-chol-3β,20-diol

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 94.1 percent / pyridine / 14 h / Ambient temperature 2: 88.5 percent / phosphoryl chloride / pyridine / 16 h / Ambient temperature 3: 96.8 percent / H2 / PtO2 / ethanol / 3 h / Ambient temperature 4: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature 5: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C 6: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature View Scheme

Yield

Multi-step reaction with 6 steps
1: 94.1 percent / pyridine / 14 h / Ambient temperature
2: 88.5 percent / phosphoryl chloride / pyridine / 16 h / Ambient temperature
3: 96.8 percent / H2 / PtO2 / ethanol / 3 h / Ambient temperature
4: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature
5: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C
6: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature
View Scheme

: 86476-27-9
24,24-ethylenedioxy-Δ5-chola-3β-acetate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature 2: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C 3: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature View Scheme

: 86476-25-7
3β-acetoxy-24,24-ethylenedioxychol-Δ5,20(22)-diene

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 96.8 percent / H2 / PtO2 / ethanol / 3 h / Ambient temperature 2: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature 3: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C 4: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature View Scheme

: 86476-23-5
24,24-ethylenedioxy-20-hydroxy-Δ5-chola-3β-acetate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 88.5 percent / phosphoryl chloride / pyridine / 16 h / Ambient temperature 2: 96.8 percent / H2 / PtO2 / ethanol / 3 h / Ambient temperature 3: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature 4: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C 5: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature View Scheme

Yield

Multi-step reaction with 5 steps
1: 88.5 percent / phosphoryl chloride / pyridine / 16 h / Ambient temperature
2: 96.8 percent / H2 / PtO2 / ethanol / 3 h / Ambient temperature
3: 91.7 percent / HCl (10percent) / acetone / 3 h / Ambient temperature
4: 74.2 percent / chromic acid / tetrahydrofuran / 0.17 h / 0 °C
5: 89.6 percent / NaOH (10percent) / methanol / 4 h / Ambient temperature
View Scheme

: 2868-48-6
methyl hyodeoxycholate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: DMF / Erwaermen des Reaktionsprodukts mit methanol. KOH View Scheme

: 120664-97-3
3β-acetoxy-23,24-bisnor-chol-5-en-22-yl p-toluenesulfonate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: xylene / Erwaermen des Reaktionsprodukts mit KOH in Methanol und Isopropylalkohol 2: 200 °C View Scheme

: 604-35-3
Cholesteryl acetate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether; glacial acetic acid; bromine 2: chromium (VI)-oxide; water containing acetic acid / Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure und Erwaermen des erhaltenen Reaktionsprodukts mit wss. Natronlauge View Scheme
Multi-step reaction with 2 steps 1: glacial acetic acid; bromine 2: chromium (VI)-oxide; water containing acetic acid / Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure und Erwaermen des erhaltenen Reaktionsprodukts mit wss. Natronlauge View Scheme

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 108-24-7
acetic anhydride

: 19462-13-6
3β-acetoxy-5-cholenic acid

Conditions

Conditions	Yield
With pyridine	100%
With acetic acid

: 186581-53-3, 908094-01-9
diazomethane

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 20231-57-6
methyl 5-cholenoate

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 20℃; for 0.666667h;	100%
	98%
In diethyl ether; chloroform for 2.5h;	77%

: 67-56-1
methanol

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 18162-48-6
tert-butyldimethylsilyl chloride

: 114011-35-7
3β-(t-butyldimethylsilyloxy)-5-cholenic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methanol; 3β-hydroxy-5-cholenoic acid With toluene-4-sulfonic acid at 60℃; Stage #2: tert-butyldimethylsilyl chloride With 1H-imidazole; dmap In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 1h;	99%

...Expand

: 811442-84-9
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: C39H68N2O8

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 3h;	95%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 2276-93-9
3β-hydroxy-5α-cholan-24-oic acid

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In tetrahydrofuran; methanol at 20℃; for 48h; Inert atmosphere;	93%
Multi-step reaction with 3 steps 1: hydrogen chloride 2: acetic acid; platinum / Hydrogenation 3: methanol. KOH-solution View Scheme

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 475102-50-2
3β-hydroxy-5-cholenamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: With ammonia In tetrahydrofuran; water at 0 - 20℃;	93%

: 110-87-2
3,4-dihydro-2H-pyran

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 120876-14-4
3β-(Tetrahydropyranyloxy)chol-5-en-24-oic acid 24-tetrahydropyranyl ester

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane Ambient temperature;	92%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 107-19-7
propargyl alcohol

: 3-hydroxychol-5-en-24-oic acid propargyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 48h;	90%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 219903-24-9
5-cholenic acid-3β-ol N-methoxy-N-methylamide

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere;	89%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 3h;	85%
Stage #1: 3β-hydroxy-5-cholenoic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In tetrahydrofuran at 20℃; for 1h; Stage #2: N,O-dimethylhydroxylamine*hydrochloride In tetrahydrofuran at 20℃; for 6h;	57%
Stage #1: 3β-hydroxy-5-cholenoic acid With N-ethyl-N,N-diisopropylamine; HATU In tetrahydrofuran at 20℃; for 1h; Stage #2: N,O-dimethylhydroxylamine*hydrochloride In tetrahydrofuran at 20℃; for 6h;	57%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 109-89-7
diethylamine

: N,N-diethyl-3β-hydroxy-5-cholenamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: diethylamine In tetrahydrofuran at 0 - 20℃;	88%

: 64-18-6
formic acid

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 119748-13-9
3β-Formato-5-cholenic acid

Conditions

Conditions	Yield
In water at 90 - 95℃; for 3h;	87%

: 890091-43-7
tert-butyl 2-(2-(2-(2-(2-(2-(2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethylcarbamate

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: C49H88N2O13

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 3h;	86%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 111-92-2
dibutylamine

: 1450593-71-1
N,N-di-n-butyl-3β-hydroxy-5-cholenamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: dibutylamine In tetrahydrofuran at 0 - 20℃;	85%

: 192003-01-3
L-β-homo-tryptophan

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-L-β-homotryptophan

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: L-β-homo-tryptophan In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	85%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: C37H76N2O17

: C61H112N2O19

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 3h;	85%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 124-40-3
dimethyl amine

: 79066-03-8
Cholenic acid dimethylamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: dimethyl amine In tetrahydrofuran at 0 - 20℃;	84%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: tetrachloro-N-hydroxyphthalimide tetramethyluronium hexafluorophosphate

: C32H37Cl4NO5

Conditions

Conditions	Yield
With 4-methyl-morpholine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h;	84%

: 63-68-3
L-methionine

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-L-methionine

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: L-methionine In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	83%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 74-88-4
methyl iodide

: 20231-57-6
methyl 5-cholenoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	82%
With diethyl ether; silver(l) oxide
With sodium hydroxide 1.) MeOH, 2.) DMF; Yield given. Multistep reaction;

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 107-19-7
propargyl alcohol

: prop-2-ynyl 4-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h;	82%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 142-84-7
di-n-propylamine

: 1450593-70-0
N,N-di-n-propyl-3β-hydroxy-5-cholenamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: di-n-propylamine In tetrahydrofuran at 0 - 20℃;	82%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 153-94-6
D-tryptophan

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-D-tryptophan

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: D-tryptophan In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	82%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 74-89-5
methylamine

: Cholenic acid monomethylamide

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With triethylamine; isobutyl chloroformate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: methylamine In tetrahydrofuran at 0 - 20℃;	81%

: 63-91-2
L-phenylalanine

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-L-phenylalanine

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: L-phenylalanine In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	81%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 55516-54-6
L-1-naphthylalanine

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-L-3-(α-naphthyl)alanine

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: L-1-naphthylalanine In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	81%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 6548-09-0, 25197-99-3, 93299-40-2
5-bromo-DL-tryptophan

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-5-bromo-L-tryptophan

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: 5-bromo-DL-tryptophan In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	80%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 73-22-3
L-Tryptophan

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-L-tryptophan

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: L-Tryptophan In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	79%

: 5255-17-4
3β-hydroxy-5-cholenoic acid

: 21339-55-9, 26988-72-7, 110117-83-4
1-methyl-L-tryptophan

: N-(3β-hydroxy-Δ5-cholen-24-oyl)-1-methyl-L-tryptophan

Conditions

Conditions	Yield
Stage #1: 3β-hydroxy-5-cholenoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.416667h; Inert atmosphere; Stage #2: 1-methyl-L-tryptophan In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; chemoselective reaction;	77%

Chol-5-en-24-oic acid,3-hydroxy-, (3b)- Specification

The Chol-5-en-24-oic acid,3-hydroxy-, (3b)-, with CAS registry number 5255-17-4, belongs to the following product categories: (1)Bile Acids; (2)Biochemistry; (3)Steroids. It has the systematic name of (3β)-3-hydroxychol-5-en-24-oic acid. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Chol-5-en-24-oic acid,3-hydroxy-, (3b)-: (1)ACD/LogP: 6.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 5908.29; (6)ACD/BCF (pH 7.4): 94.39; (7)ACD/KOC (pH 5.5): 10227.82; (8)ACD/KOC (pH 7.4): 163.4; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 107.75 cm³; (15)Molar Volume: 336.5 cm³; (16)Polarizability: 42.71×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 284.1 °C; (20)Enthalpy of Vaporization: 91.63 kJ/mol; (21)Boiling Point: 522.8 °C at 760 mmHg; (22)Vapour Pressure: 4.08E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@@H](C)[C@H]2CC[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@@]4(C(=C/C3)\C[C@@H](O)CC4)C
(2)InChI: InChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
(3)InChIKey: HIAJCGFYHIANNA-QIZZZRFXBQ
(4)Std. InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
(5)Std. InChIKey: HIAJCGFYHIANNA-QIZZZRFXSA-N

Product Name

3BETA-HYDROXY-DELTA5-CHOLENIC ACID

Synthetic route

Chol-5-en-24-oic acid,3-hydroxy-, (3b)- Specification

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