[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Basic information
- CAS
123013-39-8- Standard SMILES
CCCOCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
YFURVAOYPMSIEB-SRASSGTMSA-N- Molecular formula
- C28H39FO6
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.27306712
Names & identifiers
- Preferred name
- [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Names & synonyms
DTXSID601113759123013-39-89-Fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxo-21-propoxypregna-1,4-dien-17-yl propanoatePregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-21-propoxy-, (11I(2),16I+/-)-
Database identifiers
- CAS
123013-39-8- PubChem CID
- 14749481
- DTXSID
DTXSID601113759
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 972
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Compound notes
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