16-Bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
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Basic information
- Standard SMILES
CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(Br)C2=O- InChIKey
WQCCGDRKRHLVJM-UHFFFAOYSA-N- Molecular formula
- C19H27BrO2
- Average molar mass
- 367.3 g/mol
Names & identifiers
- Preferred name
- 16-Bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- IUPAC
- 16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
SCHEMBL13851856
Database identifiers
- PubChem CID
- 5256352
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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