3beta-Hydroxypregn-5-en-20-one oxime 3-acetate
Basic information
- CAS
17916-30-2- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=NO)CCC32)C1- InChIKey
DGKAJFBWCOTIQA-UHFFFAOYSA-N- Molecular formula
- C23H35NO3
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.26169398
Names & identifiers
- Preferred name
- 3beta-Hydroxypregn-5-en-20-one oxime 3-acetate
- IUPAC
- [17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
17916-30-23beta-Hydroxypregn-5-en-20-one oxime 3-acetateEINECS 241-859-3CBMicro_020183NCIOpen2_009292CCG-8256NSC 86004BIM-0020323.P001Pregn-5-en-20-one, 3beta-hydroxy-, oxime, acetate (ester)
Database identifiers
- CAS
17916-30-2- PubChem CID
- 86637
- EC Number
- 241-859-3
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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