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CHEBI:67485 - α,γ-onoceradienediol

ChEBI IDCHEBI:67485
ChEBI Nameα,γ-onoceradienediol
Stars
ASCII Namealpha,gamma-onoceradienediol
DefinitionA triterpenoid isolated from Lansium domesticum.
Last Modified7 September 2017
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@@]12CCC(=C)[C@H](CC[C@H]3C(C)=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-26,31-32H,1,9,11-18H2,2-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1
InChIKeyLJBIXHWCFRRBCN-IHIDZKKCSA-N
Species of MetaboliteComponentSourceComments
Lansium domesticum (ncbitaxon:201017) twig (BTO:0001411) PubMed (21401117) 95% ethanolic extract of air-dried and powdered twigs
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
α,γ-onoceradienediol (CHEBI:67485) has role plant metabolite (CHEBI:76924)
α,γ-onoceradienediol (CHEBI:67485) is a diol (CHEBI:23824)
α,γ-onoceradienediol (CHEBI:67485) is a octahydronaphthalenes (CHEBI:138397)
α,γ-onoceradienediol (CHEBI:67485) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol
Registry NumbersSources
Reaxys:5626963Reaxys
Citations