Basic information
- CAS
4147-12-0- Standard SMILES
CC(=O)OC12C=CC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC12- InChIKey
XBNYVIVLJXTFLE-UHFFFAOYSA-N- Molecular formula
- C20H24O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.16745924
Names & identifiers
- Preferred name
- (13-methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl) acetate
- IUPAC
- (13-methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl) acetate
Names & synonyms
4147-12-010-Hydroxyestra-1,4-diene-3,17-dione acetate3,17-dioxoestra-1,4-dien-10-yl acetateDTXSID50961738
Database identifiers
- CAS
4147-12-0- PubChem CID
- 20104
- DTXSID
DTXSID50961738
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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