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CHEBI:180170 - estrane-3alpha,17alpha-diol

ChEBI IDCHEBI:180170
ChEBI Nameestrane-3alpha,17alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC[C@]3([H])C1CC[C@@H](O)C2
InChIInChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12+,13?,14+,15+,16-,17+,18-/m0/s1
InChIKeyQNKATSBSLLYTMH-IRGUFUGLSA-N
ChEBI Ontology
Outgoing Relation(s)
estrane-3alpha,17alpha-diol (CHEBI:180170) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3R,5S,8R,9R,13S,14S,17R)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
Manual XrefsDatabases
7826159ChemSpider
LMST02010019LIPID MAPS