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CHEBI:67599 - 20(29)-lupene-1β,3β-diol

ChEBI IDCHEBI:67599
ChEBI Name20(29)-lupene-1β,3β-diol
Stars
ASCII Name20(29)-lupene-1beta,3beta-diol
DefinitionA pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1β,3β-stereoisomer). It has been isolated from Breynia fruticosa.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@@H](O)C[C@@H](O)[C@]34C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(=C)C)[C@@]12[H]
InChIInChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28+,29+,30-/m0/s1
InChIKeySWEUJTWPRYKNNX-AXLUDCLJSA-N
Species of MetaboliteComponentSourceComments
Breynia fruticosa (ncbitaxon:296042) root (BTO:0001188) PubMed (21428418) 90% Methanolic extract of air-dried, crushed roots.
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)
20(29)-lupene-1β,3β-diol (CHEBI:67599) has parent hydride lupane (CHEBI:36485)
20(29)-lupene-1β,3β-diol (CHEBI:67599) has role plant metabolite (CHEBI:76924)
20(29)-lupene-1β,3β-diol (CHEBI:67599) is a diol (CHEBI:23824)
20(29)-lupene-1β,3β-diol (CHEBI:67599) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
lup-20(29)-ene-1β,3β-diol
Synonym  Source
3-epi-glochidiolChEBI
Registry NumbersSources
Reaxys:6575512Reaxys
Citations