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CHEBI:173071 - Campesta-5,7-dien-3beta-ol

ChEBI IDCHEBI:173071
ChEBI NameCampesta-5,7-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CCC1C2=CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20-,22+,24-,25+,26?,27+,28-/m1/s1
InChIKeyZKQRGSXITBHHPC-CBTBQNHGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Campesta-5,7-dien-3beta-ol (CHEBI:173071) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
7826643ChemSpider
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