Basic information
- CAS
59981-94-1- Standard SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C- InChIKey
JCWFUXZGBIJXTA-VIIFRJDQSA-N- Molecular formula
- C20H29FO3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.21007294
Names & identifiers
- Preferred name
- (5S,8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
- IUPAC
- (5S,8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
- English name
- (5S,8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,4, 5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
- Molecular formula
- C20H29FO3
- Molecular weight
- 336.44
Names & synonyms
59981-94-1SCHEMBL11348496NSC38271NSC-38271(5S,8S,9R,10S,13S,14S,17S)-9-fluoro-17-hydroxy-10,13,17-trimethyl-2,4, 5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Database identifiers
- CAS
59981-94-1- PubChem CID
- 236178
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 618
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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