Basic information
- CAS
19906-32-2- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]12C- InChIKey
JKSYUQKNAOZGAO-SLHNCBLASA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Overview
17beta-Hydroxyestr-5(10)-en-3-one acetate is a steroid ester.
Names & identifiers
- Preferred name
- 17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one
- IUPAC
- [(8R,9S,13S,14S,17S)-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-one19906-32-259L3G1G4MPNSC-53890DTXSID6017368319-Norandrost-5(10)-en-17beta-acetoxy-3-oneRefChem:1057600DTXCID2096174UNII-59L3G1G4MP17beta-Hydroxyestr-5(10)-en-3-one acetateNSC 53890CHEBI:79784
Show more names
NSC53890[(8R,9S,13S,14S,17S)-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate3-Oxoestr-5(10)-en-17beta-yl acetateQ2714891819-NORANDROST-5(10)-EN-17.BETA.-ACETOXY-3-ONE17-(ACETYLOXY)-,(17.BETA.)-ESTR-5(10)-EN-3-ONEESTR-5(10)-EN-3-ONE, 17.BETA.-HYDROXY-, ACETATEESTR-5(10)-EN-3-ONE, 17-(ACETYLOXY)-, (17.BETA.)-
Database identifiers
- CAS
19906-32-2- PubChem CID
- 243746
- DTXSID
DTXSID60173683- ChEBI
CHEBI:79784- UNII
- 59L3G1G4MP
- Nikkaji
- J2.793.218E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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