Basic information
- CAS
4926-40-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C- InChIKey
MCAHIIQBOBRLHG-KWQGSUNZSA-N- Molecular formula
- C20H27FO3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.19442288
Overview
9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione is a sesquiterpenoid.
Names & identifiers
- Preferred name
- (3As,3br,4s,5as,6s,8as,8bs)-6-acetyl-3b-fluoro-4-hydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one
- IUPAC
- (3aS,3bR,4S,5aS,6S,8aS,8bS)-6-acetyl-3b-fluoro-4-hydroxy-3a,5a-dimethyl-3,4,5,6,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-one
Names & synonyms
(3as,3br,4s,5as,6s,8as,8bs)-6-acetyl-3b-fluoro-4-hydroxy-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3h)-one4926-40-39-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione(3aS,3bR,4S,5aS,6S,8aS,8bS)-6-acetyl-3b-fluoro-4-hydroxy-3a,5a-dimethyl-3,4,5,6,7,8,8a,8b,9,10-decahydroindeno[5,4-e]inden-2-oneCHEBI:79585DTXSID40290362NSC68287NSC-68287Q27148701
Database identifiers
- CAS
4926-40-3- PubChem CID
- 249705
- DTXSID
DTXSID40290362- ChEBI
CHEBI:79585- Nikkaji
- J2.791.803D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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