(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H31FO5 |
|---|---|
| Molecular Weight | 394.5 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 94.8 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.21555 |
| Heavy Atoms | 28 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 382-59-2 |
|---|---|
| SMILES | CC1CC2(C(=CC1=O)CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F)C |
| InChIKey | YUCOGNZKLOYCGL-NILRIRHTSA-N |
📖 Product Overview
(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (CAS: 382-59-2) is a chemical compound with molecular formula C22H31FO5 and molecular weight 394.5 g/mol. Its IUPAC systematic name is (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
YUCOGNZKLOYCGL-NILRIRHTSA-N.
SMILES: CC1CC2(C(=CC1=O)CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F)C.
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