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CHEBI:229794 - certonardosterol l

ChEBI IDCHEBI:229794
ChEBI Namecertonardosterol l
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O5
Net Charge0
Average Mass450.660
Monoisotopic Mass450.33452
SMILESCC(/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]4C(O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CCO
InChIInChI=1S/C27H46O5/c1-15(9-12-28)5-6-16(2)19-14-22(31)23-17-13-21(30)24-25(32)20(29)8-11-26(24,3)18(17)7-10-27(19,23)4/h5-6,15-25,28-32H,7-14H2,1-4H3/b6-5+/t15?,16-,17-,18+,19-,20+,21+,22-,23-,24+,25?,26-,27-/m1/s1
InChIKeyAKZQHZDCJDFVJI-KUMFZVSSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
certonardosterol l (CHEBI:229794) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2R)-7-hydroxy-5-methylhept-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-3,4,6,15-tetrol
Manual XrefsDatabases
24699193ChemSpider