AC1L99QF
(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Cholesta-7,24-dien-3-ol|5a-Cholesta-7,24-dien-3b-ol|5alpha-Cholesta-7,24-dien-3beta-ol|5alpha-Cholesta-7,24-diene-3beta-ol|Cholesta-7,24-dien-3-ol, (3.beta.,5.alpha.)-|(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C27H44O |
|---|---|
| Molecular Weight | 384.3392 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.3392 |
| Monoisotopic Mass | 384.3392 |
| Heavy Atoms | 28 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 651-54-7 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | PKEPPDGGTSZLBL-FZAJRYLSSA-N |
Product Overview
AC1L99QF (CAS 651-54-7), with molecular formula C27H44O and molecular weight 384.3392 g/mol. IUPAC: (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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