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CHEBI:206287 - Brabetaicasterol

ChEBI IDCHEBI:206287
ChEBI NameBrabetaicasterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23?,24+,25-,26-,27-,28+/m0/s1
InChIKeyOILXMJHPFNGGTO-KDISEMKTSA-N
Species of MetaboliteComponentSourceComments
Tuber indicum (ncbitaxon:55307) - PubMed (8910974)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicasterol (CHEBI:206287) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78438401ChemSpider