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CHEBI:195461 - 3beta,14beta,21-trihydroxy-5beta-pregnane-20-one

ChEBI IDCHEBI:195461
ChEBI Name3beta,14beta,21-trihydroxy-5beta-pregnane-20-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C(=O)CO)CC[C@]34O)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-16-15(19)6-9-20(2)17(18(24)12-22)7-10-21(16,20)25/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,19+,20-,21+/m1/s1
InChIKeyJDRASYJDBQMJOH-NOMSFGAGSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta,14beta,21-trihydroxy-5beta-pregnane-20-one (CHEBI:195461) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
1-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone