3 Beta,15 beta,17 alpha-trihydroxy-5-pregnen-20-one
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Basic information
- CAS
80380-40-1- Standard SMILES
CC(=O)[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
VWUZUCWRCBMJNW-YZUCACDQSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Overview
3b,15b,17a-Trihydroxy-pregnenone is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 3 Beta,15 beta,17 alpha-trihydroxy-5-pregnen-20-one
- IUPAC
- 1-[(3S,8R,9S,10R,13S,14S,15R,17R)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- English name
- (3b,15b)-3,15,17-trihydroxy-Pregn-5-en-20-one
- Molecular formula
- C21H32O4
- Molecular weight
- 348.48
Names & synonyms
3,15,17-Thp-203 beta,15 beta,17 alpha-trihydroxy-5-pregnen-20-onePregn-5-en-20-one, 3,15,17-trihydroxy-, (3beta,15beta)-RefChem:91041380380-40-13b,15b,17a-Trihydroxy-Pregnenone1-[(3S,8R,9S,10R,13S,14S,15R,17R)-3,15,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone3beta,15beta,17alpha-Trihydroxy-pregnenone3beta,15beta,17alpha-Trihydroxy-pregn-5-en-20-oneDTXSID601259155SCHEMBL30861594CHEBI:173219
Show more names
(3b,15b)-3,15,17-trihydroxy-Pregn-5-en-20-onePregn-5-en-20-one, 3,15,17-trihydroxy-, (3β,15β)-
LMST020301403beta,15,17-Trihydroxypregn-5-en-20-oneNS00126168(3I(2),15I(2))-3,15,17-Trihydroxypregn-5-en-20-one
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- 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
- 627
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Chemistry & industry
Additional notes
DefinitionChEBI: 3b,15b,17a-Trihydroxy-pregnenone is a corticosteroid hormone.
Related reactions
0 records
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Compound notes
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