CHEBI:78666 - 5β-pregnan-20α-ol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-pregnan-20α-ol-3-one
ChEBI ID CHEBI:78666
ChEBI ASCII Name 5beta-pregnan-20alpha-ol-3-one
Definition A 3-oxo-5β-steroid that is 5β-pregnan-3-one carrying an additional 20α-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C21H34O2
Net Charge 0
Average Mass 318.494
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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey DYVGYXXLXQESJE-WTVMURBBSA-N
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(CC(C1)=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C
ChEBI Ontology
Outgoing 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
Synonym Source
20α-hydroxy-5β-pregnan-3-one UniProt
Registry Number Type Source
3208772 Reaxys Registry Number Reaxys
Last Modified
26 April 2017