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CHEBI:229851 - certonardosterol j

ChEBI IDCHEBI:229851
ChEBI Namecertonardosterol j
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O4
Net Charge0
Average Mass462.715
Monoisotopic Mass462.37091
SMILESC/C(=C\[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)[C@@H](C)CO
InChIInChI=1S/C29H50O4/c1-16(19(4)18(3)15-30)11-17(2)23-14-26(33)27-21-13-25(32)24-12-20(31)7-9-28(24,5)22(21)8-10-29(23,27)6/h11,17-27,30-33H,7-10,12-15H2,1-6H3/b16-11+/t17-,18+,19+,20+,21-,22+,23-,24-,25+,26-,27-,28-,29-/m1/s1
InChIKeyGEUZMMXOSWUBAU-XWKDZGFSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
certonardosterol j (CHEBI:229851) has parent hydride gorgostane (CHEBI:24424)
certonardosterol j (CHEBI:229851) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2R,5R,6R)-7-hydroxy-4,5,6-trimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
Manual XrefsDatabases
10258017ChemSpider