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

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ChEBI Name 2α,3β-dihydroxylup-20(29)-ene
ChEBI ID CHEBI:67954
ChEBI ASCII Name 2alpha,3beta-dihydroxylup-20(29)-ene
Definition A 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.
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/c1-18(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
InChIKey OESLKRXCBRUCJZ-BUXXFNAFSA-N
SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and 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 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
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
20 January 2014