(3β,5α,25R)-3-Hydroxyspirostan-6-one supplier

Name
laxogenin
EINECS
CAS No. 1177-71-5
Article Data10
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 210-212℃
Formula C₂₇H₄₂O₄
Boiling Point 548.924 °C at 760 mmHg
Molecular Weight 430.628
Flash Point 177.82 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Spirostan-6-one, 3b-hydroxy- (8CI);Laxogenin (7CI);Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-6-onederiv.;6-Oxotigogenin;Laxogenine;
PSA 55.76000
LogP 4.97280

(3β,5α,25R)-3-Hydroxyspirostan-6-one Specification

The Spirostan-6-one,3-hydroxy-, (3b,5a,25R)-, with the CAS registry number 1177-71-5, is also known as Laxogenin. This chemical's molecular formula is C₂₇H₄₂O₄ and molecular weight is 430.63. What's more, its systematic name is called (3β,5α,25R)-3-Hydroxyspirostan-6-one.

Physical properties about Spirostan-6-one,3-hydroxy-, (3b,5a,25R)- are: (1)ACD/LogP: 4.627; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1933.01; (6)ACD/BCF (pH 7.4): 1933.01; (7)ACD/KOC (pH 5.5): 7832.19; (8)ACD/KOC (pH 7.4): 7832.19; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.76 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 119.773 cm³; (15)Molar Volume: 371.135 cm³; (16)Polarizability: 47.482×10^-24cm³; (17)Surface Tension: 46.305 dyne/cm ; (18)Density: 1.16 g/cm³; (19)Flash Point: 177.82 °C; (20)Enthalpy of Vaporization: 95.253 kJ/mol; (21)Boiling Point: 548.924 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C5C[C@@H]3[C@H](CC[C@@]4([C@@H]2[C@@H](O[C@@]1(OC[C@@H](CC1)C)[C@H]2C)C[C@@H]34)C)[C@]6(C)[C@@H]5C[C@@H](O)CC6
(2) InChI: InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-21,23-24,28H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1
(3) InChIKey: WOJKRRDDERNLBU-BOYSPROGSA-N

Product Name

laxogenin

(3β,5α,25R)-3-Hydroxyspirostan-6-one Specification

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