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CHEBI:78594 - 5α-pregan-20β-ol-3-one

ChEBI IDCHEBI:78594
ChEBI Name5α-pregan-20β-ol-3-one
Stars
ASCII Name5alpha-pregan-20beta-ol-3-one
DefinitionA 3-oxo-5α- steroid that is 5α-pregane-3-one carrying an additional hydroxy substituent at the 20β-position.
Last Modified28 March 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-/m1/s1
InChIKeyDYVGYXXLXQESJE-XPLLOJBJSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-pregan-20β-ol-3-one (CHEBI:78594) has parent hydride 5α-pregnane (CHEBI:20656)
5α-pregan-20β-ol-3-one (CHEBI:78594) is a 20-hydroxy steroid (CHEBI:36854)
5α-pregan-20β-ol-3-one (CHEBI:78594) is a 3-oxo-5α-steroid (CHEBI:13601)
IUPAC Name 
(5α,20R)-20-hydroxypregnan-3-one
Synonyms  Source
(5α,20β)-20-hydroxypregnan-3-oneSUBMITTER
Allopregnan-20beta-ol-3-oneChemIDplus
UniProt Name  Source
5α-pregnan-20β-ol-3-oneUniProt
Registry NumbersSources
Reaxys:2621511Reaxys
CAS:516-58-5ChemIDplus