Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22E)- supplier

Name
CEREVISTEROL
EINECS
CAS No. 516-37-0
Article Data12
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point >240 °C
Formula C₂₈H₄₆O₃
Boiling Point 535 °C at 760 mmHg
Molecular Weight 430.671
Flash Point 221.2 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Ergosta-7,22-diene-3b,5,6-triol (7CI);5a-Ergosta-7,22-diene-3b,5,6b-triol (6CI,8CI);(22E)-Ergosta-7,22-diene-3b,5a,6b-triol;(22E,24R)-Ergosta-7,22-dien-3b,5a,6b-triol;(22E,24R)-Ergosta-7,22-diene-3b,5a,6b-triol;(24R)-Ergosta-7,22-diene-3b,5a,6b-triol;(3b,5a,6b,22E)-Ergosta-7,22-diene-3,5,6-triol;24a-Methylcholesta-7,22-dien-3b,5a,6b-triol;3b,5a,6b-Trihydroxy-7,22-ergostadiene;Cerevisterin;Cerevisterol;
PSA 60.69000
LogP 5.49640

Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22E)- Specification

The CAS register number of Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22E)- is 516-37-0. It also can be called as (24R)-Ergosta-7,22-diene-3b,5a,6b-triol and the systematic name about this chemical is (22E)-ergosta-7,22-diene-3,5,6-triol. The molecular formula about this chemical is C₂₈H₄₆O₃ and the molecular weight is 430.66.

Physical properties about Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22E)- are: (1)ACD/LogP: 7.38; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 127.57 cm³; (9)Molar Volume: 396.4 cm³; (10)Polarizability: 50.57x10^-24cm³; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.08 g/cm³; (13)Flash Point: 221.2 °C; (14)Enthalpy of Vaporization: 93.32 kJ/mol; (15)Boiling Point: 535 °C at 760 mmHg; (16)Vapour Pressure: 1.12E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC4/C=C1\C(CCC2(C)C1CCC2C(/C=C/C(C)C(C)C)C)C3(C4(O)CC(O)CC3)C
(2)InChI: InChI=1/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+
(3)InChIKey: ARXHRTZAVQOQEU-BQYQJAHWBE
(4)Std. InChI: InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+
(5)Std. InChIKey: ARXHRTZAVQOQEU-BQYQJAHWSA-N

Product Name

CEREVISTEROL

Ergosta-7,22-diene-3,5,6-triol,(3b,5a,6b,22E)- Specification

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