CHEBI:67485 - α,γ-onoceradienediol

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ChEBI Name α,γ-onoceradienediol
ChEBI ID CHEBI:67485
ChEBI ASCII Name alpha,gamma-onoceradienediol
Definition A triterpenoid isolated from Lansium domesticum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O2
Net Charge 0
Average Mass 442.71680
Monoisotopic Mass 442.38108
InChI InChI=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
InChIKey LJBIXHWCFRRBCN-IHIDZKKCSA-N
SMILES CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C
Metabolite of Species Details
Lansium domesticum (NCBI:txid201017) Found in twig (BTO:0001411). 95% ethanolic extract of air-dried and powdered twigs See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
5626963 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401117 PubMed citation Europe PMC
Last Modified
07 September 2017