3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
Basic information
- CAS
61148-11-6- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
JYBLPRVSUYUPPM-USQBOPSSSA-N- Molecular formula
- C25H39NO2
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.29807949
Overview
3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione is a steroid. It derives from a hydride of a pregnane.
Names & identifiers
- Preferred name
- 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
- IUPAC
- (3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Names & synonyms
3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione61148-11-6CHEBI:79536NSC64956NSC-64956(3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-oneQ27148636
Database identifiers
- CAS
61148-11-6- PubChem CID
- 248263
- ChEBI
CHEBI:79536- Nikkaji
- J2.791.533G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 667
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Related reactions
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Compound notes
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