1-(3-cyclopentyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Basic information
- Standard SMILES
CC(=O)C1CCC2C3CC=C4C=C(OC5CCCC5)CCC4(C)C3CCC12C- InChIKey
XAVRSHOUEXATJE-UHFFFAOYSA-N- Molecular formula
- C26H38O2
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.28718045
Names & identifiers
- Preferred name
- 1-(3-cyclopentyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
- IUPAC
- 1-(3-cyclopentyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Names & synonyms
NS00126544
Database identifiers
- PubChem CID
- 6220
- DTXSID
DTXSID40861612
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 712
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Compound notes
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