5,22-Cholestadien-24beta-methyl-3beta-ol
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: BRASSICASTEROL|EINECS 241-488-7|5,22-Cholestadien-24|A-methyl-3|A-ol|(24S)-Ergosta-5,22(E)-dien-3beta-ol|5,22-Cholestadien-24beta-methyl-3beta-ol|Ergosta-5,22-dien-3.beta.-ol, (24R)-|Ergosta-5,22-dien-3-ol, (3.beta.,22E,24S)-|(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;|17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|ergosta-5,22E-dien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35486 g/mol |
| LogP | 7.41 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 659.2 |
Chemical Identifiers
| CAS Number | 474-67-9 |
|---|---|
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
Product Overview
5,22-Cholestadien-24beta-methyl-3beta-ol (CAS 474-67-9), with molecular formula C28H46O and molecular weight 398.35486 g/mol. IUPAC: 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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