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CHEBI:188194 - 17(20)-Dehydrocryptogenin

ChEBI IDCHEBI:188194
ChEBI Name17(20)-Dehydrocryptogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)/C(=C(\C)C(=O)CC[C@@H](C)CO)C(=O)C[C@@]21[H]
InChIInChI=1S/C27H40O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16,19-22,28-29H,5,7-15H2,1-4H3/b25-17+/t16-,19+,20-,21+,22+,26+,27+/m1/s1
InChIKeyLHUOFJIUXKOLAO-YKXPSBIHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
17(20)-Dehydrocryptogenin (CHEBI:188194) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8R,9S,10R,13S,14S,17Z)-3-hydroxy-17-[(6R)-7-hydroxy-6-methyl-3-oxoheptan-2-ylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
LMST01010342LIPID MAPS
113385044ChemSpider