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CHEBI:67954 - 2α,3β-dihydroxylup-20(29)-ene

ChEBI IDCHEBI:67954
ChEBI Name2α,3β-dihydroxylup-20(29)-ene
Stars
ASCII Name2alpha,3beta-dihydroxylup-20(29)-ene
DefinitionA pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 2 and 3 (the 2α,3β stereoisomer). It has been isolated from Juglans sinensis.
Last Modified20 January 2014
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)[C@H](O)C[C@]21C
InChIInChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(24(19)27)9-10-23-28(6)17-21(31)25(32)26(3,4)22(28)12-14-30(23,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24+,25-,27+,28-,29+,30+/m0/s1
InChIKeyOESLKRXCBRUCJZ-BUXXFNAFSA-N
Species of MetaboliteComponentSourceComments
Juglans sinensis (ncbitaxon:442437-1)
leaf (BTO:0000713) PubMed (21309591) 80% Methanolic extract of dried leaves and twigs
twig (BTO:0001411) PubMed (21309591) 80% Methanolic extract of dried leaves and 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)
2α,3β-dihydroxylup-20(29)-ene (CHEBI:67954) has parent hydride lupane (CHEBI:36485)
2α,3β-dihydroxylup-20(29)-ene (CHEBI:67954) has role plant metabolite (CHEBI:76924)
2α,3β-dihydroxylup-20(29)-ene (CHEBI:67954) is a diol (CHEBI:23824)
2α,3β-dihydroxylup-20(29)-ene (CHEBI:67954) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
2α,3bβ-lup-20(29)-ene-2,3-diol
Citations