Basic information
- CAS
472-24-2- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@]12F- InChIKey
HMQHDCRSYKWXAA-BULBTXNYSA-N- Molecular formula
- C21H28F2O4
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.19556569
Names & identifiers
- Preferred name
- (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- English name
- (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydro xy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phena nthren-3-one
- Molecular formula
- C21H28F2O4
- Molecular weight
- 382.4414264
Names & synonyms
NSC22845472-24-2NSC-22845Progesterone,21-difluoro-11.beta.,17-dihydroxy-Pregn-4-ene-3, 9,21-difluoro-11.beta.,17-dihydroxy-(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(2-fluoroacetyl)-11,17-dihydro xy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phena nthren-3-one
Database identifiers
- CAS
472-24-2- PubChem CID
- 229294
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 736
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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