AC1L4FWB
(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: 17|A-Ethynyl-10|A-hydroperoxy-1,4-estradiene-17|A-ol-3-one|10-Hydroperoxy-17-hydroxy-19-norpregna-1,4-dien-20-yn-3-one|(8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one|(10xi,17xi)-10-Hydroperoxy-17-hydroxy-19-norpregna-1,4-dien-20-yn-3-one|19-Norpregna-1,4-dien-20-yn-3-one, 10-hydroperoxy-17-hydroxy-, (17alpha)|19-Norpregna-1,4-dien-20-yn-3-one,10-hydroperoxy-17-hydroxy-, (17a)- (9CI)|(8S,9S,10S,13S,14S,17R)-17-Ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.16745 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.16745 |
| Monoisotopic Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 89376-77-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)C=CC34OO |
| InChIKey | LCUKBSASDIWIPC-ZLHCHQMRSA-N |
Product Overview
AC1L4FWB (CAS 89376-77-2), with molecular formula C20H24O4 and molecular weight 328.16745 g/mol. IUPAC: (8S,9S,13S,14S)-17-ethynyl-10-hydroperoxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.