17,17-Dimethylgona-4,13-dien-3-one
Basic information
- CAS
153-23-1- Standard SMILES
CC1(C)CCC2=C1CC[C@@H]1[C@H]3CCC(=O)C=C3CC[C@@H]21- InChIKey
QQKCHKZSXKFDDR-ARFHVFGLSA-N- Molecular formula
- C19H26O
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.19836545
Names & identifiers
- Preferred name
- 17,17-Dimethylgona-4,13-dien-3-one
- IUPAC
- (8R,9R,10R)-17,17-dimethyl-2,6,7,8,9,10,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
153-23-117,17-dimethylgona-4,13-dien-3-oneNSC82487SCHEMBL11125129DTXSID00292428NSC-82487
Database identifiers
- CAS
153-23-1- PubChem CID
- 256138
- DTXSID
DTXSID00292428
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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