17-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Basic information
- CAS
13611-02-4- Standard SMILES
CC1CC2(C)C(CC1=O)CC(C)C1C2CCC2(C)C1CCC2(C)O- InChIKey
PYTJFKXDHIGLJZ-UHFFFAOYSA-N- Molecular formula
- C22H36O2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.27153039
Names & identifiers
- Preferred name
- 17-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- 17-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
13611-02-4NSC17890617-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneDTXSID10306666NSC-17890617-Hydroxy-2,7,17-trimethylandrostan-3-one
Database identifiers
- CAS
13611-02-4- PubChem CID
- 301438
- DTXSID
DTXSID10306666
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
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Related reactions
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Compound notes
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