3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one
Basic information
- CAS
7252-91-7- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
VHYUGQIWISVBRT-SUTVCERISA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Overview
3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one
- IUPAC
- 1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 5-beta-Pregnan-3-alpha, 11-beta, 17-triol-20-one
- Molecular formula
- C21H34O4
- Molecular weight
- 350.49
Names & synonyms
7252-91-7Tetrahydro-21-deoxycortisol3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-oneNSC-53891C15403Tixocortol pivalate metabolite M8J846.207K1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanoneUNII-7G74CW77XH7G74CW77XH3-alpha,11-beta,17-alpha-Trihydroxy-5-beta-pregnan-20-one1-((3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-Trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-yl)ethanone
Show more names
3ALPHA,11B,17ALPHA-Trihydroxy-5B-pregnan-20-one5-beta-Pregnan-3-alpha, 11-beta, 17-triol-20-one5BETA-PREGNAN-3ALPHA,11BETA,17ALPHA-TRIOL-20-ONE
Pregnan-20-one, 3,11,17-trihydroxy-, (3alpha,5beta,11beta)-CHEMBL1908039CHEBI:79904DTXSID00288043NSC538913alpha,11beta,17-Trihydroxy-5beta-pregnan-20-oneQ271490643.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- FDA UNII
- 7 G74CW77XH · 7G74CW77XH
Chemistry & industry
Additional notes
DefinitionChEBI: 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one is a corticosteroid hormone.
Related reactions
0 records
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Compound notes
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