CHEBI:50171 - 3-hydroxy-5β-pregnan-20-one

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ChEBI Name 3-hydroxy-5β-pregnan-20-one
ChEBI ID CHEBI:50171
ChEBI ASCII Name 3-hydroxy-5beta-pregnan-20-one
Definition The 5β-stereoisomer of 3-hydroxypregnan-20-one.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H34O2
Net Charge 0
Average Mass 318.49346
Monoisotopic Mass 318.25588
InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey AURFZBICLPNKBZ-IYEURWCSSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(O)C2
ChEBI Ontology
Outgoing 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) has parent hydride 5β-pregnane (CHEBI:20674)
3-hydroxy-5β-pregnan-20-one (CHEBI:50171) is a 3-hydroxypregnan-20-one (CHEBI:50168)
Incoming 3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171)
3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171)
IUPAC Name
3-hydroxy-5β-pregnan-20-one
Registry Number Type Source
4785659 Beilstein Registry Number Beilstein
Last Modified
10 February 2015