Basic information
- CAS
16993-14-9- Standard SMILES
COc1ccc2c(c1)CCC1C2CCC2(C)CCC(=O)C12C- InChIKey
NMFOMWIEIMQQRY-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- 3-Methoxy-13,14-dimethyl-6,7,8,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-15-one
- IUPAC
- 3-methoxy-13,14-dimethyl-6,7,8,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-15-one
Names & synonyms
16993-14-9NSC106613DTXSID70937713NSC-1066133-Methoxy-14-methylestra-1(10),2,4-trien-15-one
Database identifiers
- CAS
16993-14-9- PubChem CID
- 267403
- DTXSID
DTXSID70937713
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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