3-Methoxyestra-1(10),2,4,6,8-pentaen-17-one
Basic information
- CAS
1229-32-9- Standard SMILES
COc1ccc2c3c(ccc2c1)[C@H]1CCC(=O)[C@@]1(C)CC3- InChIKey
LAFFTPKGTZPBMG-MJGOQNOKSA-N- Molecular formula
- C19H20O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14632988
Names & identifiers
- Preferred name
- 3-Methoxyestra-1(10),2,4,6,8-pentaen-17-one
- IUPAC
- (13S,14R)-3-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Names & synonyms
1229-32-9NSC316163-Methoxyestra-1(10),2,4,6,8-pentaen-17-oneDTXSID60924314NSC-316163-Methoxy-14beta-estra-1(10),2,4,6,8-pentaen-17-one
Database identifiers
- CAS
1229-32-9- PubChem CID
- 233253
- DTXSID
DTXSID60924314
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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