Ergosta-7,22-dien-3-ol,(3b,5a,22E)- supplier

Name
(22E)-5α-Ergosta-7,22-dien-3β-ol
EINECS
CAS No. 2465-11-4
Article Data7
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₂₈H₄₆O
Boiling Point 487.5 °C at 760 mmHg
Molecular Weight 398.673
Flash Point 213 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Ergosta-7,22-dien-3b-ol (7CI,8CI);a-Dihydroergosterol;Stellasterol(6CI);(22E)-Ergosta-7,22-dien-3b-ol;(22E,24R)-Ergosta-7,22-dien-3b-ol;(24S)-24-Methyl-5a-cholesta-7,22-dien-3b-ol;24-Methyl-5a-cholesta-7,22-dien-3b-ol;5-Dihydroergosterin;Ergosta-7,22-dienol;Ergosterol, a-dihydro-;Stellasterin;
PSA 20.23000
LogP 7.41070

Ergosta-7,22-dien-3-ol,(3b,5a,22E)- Specification

The CAS registry number of Ergosta-7,22-dien-3-ol,(3b,5a,22E)- is 2465-11-4. This chemical is also named as (3beta,5a,22E)-Ergosta-7,22-dien-3-ol. In addition, its molecular formula is C₂₈H₄₆O and molecular weight is 398.6642. Its IUPAC name is called (3S,4S,10S,13S)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Physical properties about Ergosta-7,22-dien-3-ol,(3b,5a,22E)- are: (1)ACD/LogP: 9.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.6; (4)ACD/LogD (pH 7.4): 9.6; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3983865; (8)ACD/KOC (pH 7.4): 3983865; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 124.49 cm³; (14)Molar Volume: 401.5 cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 0.99 g/cm³; (17)Flash Point: 213 °C; (18)Enthalpy of Vaporization: 86.81 kJ/mol; (19)Boiling Point: 487.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CC[C@@]2([C@@H]3\C(=C/C[C@H]2C1)[C@@H]4CC[C@H]([C@@H](/C=C/[C@H](C)C(C)C)C)[C@]4(CC3)C)C
(2)InChI: InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
(3)InChIKey: QOXPZVASXWSKKU-UEIWAABPBB

Product Name

(22E)-5α-Ergosta-7,22-dien-3β-ol

Ergosta-7,22-dien-3-ol,(3b,5a,22E)- Specification

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