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CHEBI:187609 - Chabrosterol

ChEBI IDCHEBI:187609
ChEBI NameChabrosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)[C@@]21[H])C[C@@H](O)CC3
InChIInChI=1S/C27H42O2/c1-16(2)17(3)6-7-18(4)23-10-11-24-26-22(12-13-27(23,24)5)21-9-8-20(28)14-19(21)15-25(26)29/h16,18,20,22-24,26,28H,3,6-15H2,1-2,4-5H3/t18-,20+,22-,23-,24+,26-,27-/m1/s1
InChIKeyHCAOCWWIFOSXAJ-VNESDUEWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Chabrosterol (CHEBI:187609) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
27023996ChemSpider
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