Ergostan-3-ol
(8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Ergostanol|Ergostan-3-ol|Ergosta-3-ol|5alpha-Ergostan-3beta-ol|J1.450.984D|(1R,3aS,3bR,9aS,9bS,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol|(8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C28H50O |
|---|---|
| Molecular Weight | 402.38617 g/mol |
| LogP | 7.7146 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.38617 |
| Monoisotopic Mass | 402.38617 |
| Heavy Atoms | 29 |
| Complexity | 568.66113 |
Chemical Identifiers
| CAS Number | 516-76-7 |
|---|---|
| SMILES | C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C |
Product Overview
Ergostan-3-ol (CAS 516-76-7), with molecular formula C28H50O and molecular weight 402.38617 g/mol. IUPAC: (8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.