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CHEBI:197212 - 5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol

ChEBI IDCHEBI:197212
ChEBI Name5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@]1([C@H](C)CCCC(C)C)CCC2=C3C=C[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5
InChIInChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-23-12-14-26-17-20(28)11-13-25(26,5)27(23,30-29-26)16-15-24(21,22)4/h12,14,18-21,28H,6-11,13,15-17H2,1-5H3/t19-,20+,21-,24-,25+,26-,27-/m1/s1
InChIKeyWEAGYKPBVZBNAJ-KNOFZFNKSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol (CHEBI:197212) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,8R,9R,12R,13S,16S)-9,13-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadeca-2,4-dien-16-ol
Manual XrefsDatabases
LMST01010257LIPID MAPS
113385020ChemSpider