[(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Basic information
- CAS
58652-19-0- Standard SMILES
C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC3(OC(C)=O)C(C)=O)[C@H]2CCC(=O)C=C12- InChIKey
YBBDZPBFRFPTJE-AFHJIISKSA-N- Molecular formula
- C23H30O4
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.21440943
Names & identifiers
- Preferred name
- [(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
[(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetateDTXSID009741916-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate(17xi)-6-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate
Database identifiers
- CAS
58652-19-0- PubChem CID
- 93871
- DTXSID
DTXSID00974191
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 762
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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