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CHEBI:182766 - (8S,9S,10R,13S,14S)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

ChEBI IDCHEBI:182766
ChEBI Name(8S,9S,10R,13S,14S)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(O)C[C@]1(C)C(C(=O)CO)CC[C@@]21[H]
InChIInChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16?,17?,19+,20-,21-/m0/s1
InChIKeyOMFXVFTZEKFJBZ-ZSAGEMKLSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S,10R,13S,14S)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (CHEBI:182766) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
(8S,9S,10R,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
C02942KEGG COMPOUND
388900ChemSpider