(5S,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-2-one
Basic information
- CAS
4412-69-5- Standard SMILES
C[C@]12CC[C@@H]3C4=CC(=O)CC[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
QOESCSYPCASRDE-YSDJCCEOSA-N- Molecular formula
- C18H26O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.19328007
Names & identifiers
- Preferred name
- (5S,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-2-one
- IUPAC
- (5S,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-2-one
Names & synonyms
NSC31874NSC-318744412-69-5
Database identifiers
- CAS
4412-69-5- PubChem CID
- 233385
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…