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

ChEBI IDCHEBI:50171
ChEBI Name3-hydroxy-5β-pregnan-20-one
Stars
ASCII Name3-hydroxy-5beta-pregnan-20-one
DefinitionThe 5β-stereoisomer of 3-hydroxypregnan-20-one.
Last Modified10 February 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(C)=O)[C@@]1(C)CCC(O)C2
InChIInChI=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
InChIKeyAURFZBICLPNKBZ-IYEURWCSSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 NumbersSources
Beilstein:4785659Beilstein