Basic information
- CAS
4201-70-1- Standard SMILES
CC12CCC3C(CCC4=CC(=O)CC(O)C43)C1CCC2O- InChIKey
ZYBOCAFAMCVGIO-UHFFFAOYSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Names & identifiers
- Preferred name
- 1,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- 1,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
NSC5271154201-70-1DTXSID603263391,17-dihydroxyestr-4-en-3-oneNSC-527115
Database identifiers
- CAS
4201-70-1- PubChem CID
- 352575
- DTXSID
DTXSID60326339
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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