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CHEBI:166779 - 3beta-Allotetrahydrocortisol

ChEBI IDCHEBI:166779
ChEBI Name3beta-Allotetrahydrocortisol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyAODPIQQILQLWGS-VSJLKEFSSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta-Allotetrahydrocortisol (CHEBI:166779) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
2-hydroxy-1-[(3S,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Manual XrefsDatabases
HMDB0000314HMDB
13628056ChemSpider
Registry NumbersSources
CAS:651-43-4ChemIDplus