11alpha-Hydroxy-5beta-pregnane-3,20-dione
Basic information
- CAS
565-93-5- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C- InChIKey
XHCCPSKYYJBSAA-JMQWGRHHSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Overview
11alpha-Hydroxy-5beta-pregnane-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 11alpha-Hydroxy-5beta-pregnane-3,20-dione
- IUPAC
- (5R,8S,9S,10S,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- English name
- 11α-Hydroxy-5β-pregnane-3,20-dione
- Molecular formula
- C21H32O3
- Molecular weight
- 332.48
Names & synonyms
11alpha-Hydroxy-5beta-pregnane-3,20-dione565-93-5NSC-973511-Hydroxypregnane-3,20-dione #5AYG2ST3TCCHEMBL3416074SCHEMBL14121674CHEBI:79857NSC973511a-hydroxy-5b-pregnan-3,20-dione(5R,8S,9S,10S,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one5.beta.-Pregnane-3, 11.alpha.-hydroxy-
Show more names
Pregnane-3,20-dione, 11-hydroxy-, (5β,11α)-
11alpha-Hydroxy(5beta)pregnane-3,20-dione5.beta.-Pregnane-3,20-dione, 11.alpha.-hydroxy-Pregnane-3, 11-hydroxy-, (5.beta.,11.alpha.)-Q27148995Pregnane-3,20-dione, 11-hydroxy-, (5beta,11alpha)-Pregnane-3,20-dione, 11-hydroxy-, (5.beta.,11.alpha.)-
Database identifiers
- CAS
565-93-5- PubChem CID
- 222808
- ChEMBL
CHEMBL3416074
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- FDA UNII
- 5 AYG2ST3TC · 5AYG2ST3TC
Chemistry & industry
Additional notes
DefinitionChEBI: 11alpha-Hydroxy-5beta-pregnane-3,20-dione is a corticosteroid hormone.
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Compound notes
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