Einecs 212-697-0
Basic information
- CAS
848-07-7- Standard SMILES
CCC12CCC3=C(CCc4cc(OC)ccc43)C1=CCC2=O- InChIKey
ZKFDNQOPOKFLFH-UHFFFAOYSA-N- Molecular formula
- C20H22O2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.16197994
Names & identifiers
- Preferred name
- Einecs 212-697-0
- IUPAC
- 13-ethyl-3-methoxy-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
848-07-7EINECS 212-697-0ZKFDNQOPOKFLFH-UHFFFAOYSA-NDTXSID001182300(1)-13-Ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-oneNS00042919Gona-1,3,5(10),8,14-pentaen-17-one, 13-ethyl-3-methoxy-, (A+/-)-11a-Ethyl-7-methoxy-2,4,5,10,11,11a-hexahydro-1H-cyclopenta[a]phenanthren-1-one
Database identifiers
- CAS
848-07-7- PubChem CID
- 102500
- DTXSID
DTXSID001182300- EC Number
- 212-697-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
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