(7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
Basic information
- CAS
73891-79-9- Standard SMILES
CC1CC2=CC(=O)CCC2C2CCC3(C)C(OC(=O)CCC4CCCC4)CCC3C12- InChIKey
XYRYZAKFWFKWMF-UHFFFAOYSA-N- Molecular formula
- C27H40O3
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.29774513
Names & identifiers
- Preferred name
- (7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
- IUPAC
- (7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoate
Names & synonyms
73891-79-9(7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-cyclopentylpropanoateNSC1446747-methyl-3-oxoestr-4-en-17-yl 3-cyclopentylpropanoateDTXSID80301603NSC-144674
Database identifiers
- CAS
73891-79-9- PubChem CID
- 286478
- DTXSID
DTXSID80301603
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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