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CHEBI:78666 - 5β-pregnan-20α-ol-3-one

ChEBI IDCHEBI:78666
ChEBI Name5β-pregnan-20α-ol-3-one
Stars
ASCII Name5beta-pregnan-20alpha-ol-3-one
DefinitionA 3-oxo-5β-steroid that is 5β-pregnan-3-one carrying an additional 20α-hydroxy substituent.
Last Modified26 April 2017
Submitterlaimo
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@H](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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyDYVGYXXLXQESJE-WTVMURBBSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-pregnan-20α-ol-3-one (CHEBI:78666) has parent hydride 5β-pregnane (CHEBI:20674)
5β-pregnan-20α-ol-3-one (CHEBI:78666) is a 20-hydroxy steroid (CHEBI:36854)
5β-pregnan-20α-ol-3-one (CHEBI:78666) is a 3-oxo-5β-steroid (CHEBI:1624)
IUPAC Name 
(5β,20S)-20-hydroxypregnan-3-one
UniProt Name  Source
20α-hydroxy-5β-pregnan-3-oneUniProt
Registry NumbersSources
Reaxys:3208772Reaxys