Basic information
- CAS
5192-84-7- Standard SMILES
CC(=O)[C@H]1CCC2C3C=C(Cl)C4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C- InChIKey
USXVMPAWZOOYDE-SRDMKUQPSA-N- Molecular formula
- C21H25ClO2
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.1543077
Names & identifiers
- Preferred name
- (9R,10S,13S,17S)-17-acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (9R,10S,13S,17S)-17-acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
(9R,10S,13S,17S)-17-acetyl-6-chloro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one5192-84-7SCHEMBL1650975
Database identifiers
- CAS
5192-84-7- PubChem CID
- 72140
- EC Number
- 225-978-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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