AC1L5C3H
1-[(3R,5R,8S,9S,10S,11R,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: KST-1A7300|(3|A,5|A,11|A)-3,11,17-trihydroxypregnan-20-one|3alpha,11alpha,17-trihydroxy-5beta-pregnan-20-one|1-[(3R,5R,8S,9S,10S,11R,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.2457 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2457 |
| Monoisotopic Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 603-96-3 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O |
| InChIKey | VHYUGQIWISVBRT-CZYZYLBHSA-N |
Product Overview
AC1L5C3H (CAS 603-96-3), with molecular formula C21H34O4 and molecular weight 350.2457 g/mol. IUPAC: 1-[(3R,5R,8S,9S,10S,11R,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
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