Episterol
(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Episterol|9xi-episterol|24-Methylenelathosterol|Ergosta-7,24(28)-dien-3-ol|24-methylene-cholest-7-en-3beta-ol|5a-ergosta-7,24(28)-dien-3b-ol|5alpha-ergosta-7,24(28)-dien-3beta-ol|(3beta,5alpha)-ergosta-7,24(28)-dien-3-ol|Ergosta-7,24(28)-dien-3-ol, (3beta,5alpha)-|5alpha,9xi-ergosta-7,24(28)-dien-3beta-ol|5alpha-Ergosta-7,24(24~1~)-dien-3beta-ol|(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,5aS,7S,9aS,9bR,11aR)-9a,11a-dimethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((2R)-6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol|24-Methyl-5a-cholesta-7,24(28)-dien-3ss-ol; 24-Methylene-5a-cholest-7-en-3ss-ol; 24-Methylenecholesta-7,24(28)-dien-3ss-ol; Episterin; Episterol; ?7,24(28)-Ergostadienol
| Molecular Formula | C28H46O |
|---|---|
| Molecular Weight | 398.35486 g/mol |
| LogP | 7.5548 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.35486 |
| Monoisotopic Mass | 398.35486 |
| Heavy Atoms | 29 |
| Complexity | 659.225 |
Chemical Identifiers
| CAS Number | 474-68-0 |
|---|---|
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
Episterol (CAS 474-68-0), with molecular formula C28H46O and molecular weight 398.35486 g/mol. IUPAC: (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.