AC1L5EWE
(5S,6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-5,11-dihydroxy-6,10,13-trimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: KST-1A3975|(5|A,6|A,11|A)-5,11-dihydroxy-6-methylpregnane-3,20-dione|5a-Pregnane-3,20-dione, 5,11a-dihydroxy-6b-methyl- (6CI,8CI)|(5S,6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-5,11-dihydroxy-6,10,13-trimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one|17-acetyl-5,11-dihydroxy-6,10,13-trimethyl-2,4,6,7,8,9,11,12
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.2457 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.2457 |
| Monoisotopic Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 34136-28-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@H]([C@@H]2[C@@]4([C@@]1(CC(=O)CC4)O)C)O)C)C(=O)C |
| InChIKey | SWMLFRMOWVYIDT-SEIZWDBISA-N |
Product Overview
AC1L5EWE (CAS 34136-28-2), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: (5S,6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-5,11-dihydroxy-6,10,13-trimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.