EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132339 - triptohypol D

ChEBI IDCHEBI:132339
ChEBI Nametriptohypol D
Stars
DefinitionA pentacyclic triterpenoid with formula C32H54O2, originally isolated from the root bark of Tripterygium hypoglaucum.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC32H54O2
Net Charge0
Average Mass470.782
Monoisotopic Mass470.41238
SMILES[H][C@]12[C@H](OCC)C=C3[C@@](C)(CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C32H54O2/c1-10-34-23-19-22-26-21(3)20(2)11-14-29(26,6)17-18-31(22,8)32(9)16-12-24-28(4,5)25(33)13-15-30(24,7)27(23)32/h19-21,23-27,33H,10-18H2,1-9H3/t20-,21+,23-,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1
InChIKeyLQLVWNVASQPJTG-VYOOLRBWSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) root (BTO:0001188) PubMed (10746886)
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)
triptohypol D (CHEBI:132339) has parent hydride ursane (CHEBI:35711)
triptohypol D (CHEBI:132339) has role plant metabolite (CHEBI:76924)
triptohypol D (CHEBI:132339) is a ether (CHEBI:25698)
triptohypol D (CHEBI:132339) is a pentacyclic triterpenoid (CHEBI:25872)
triptohypol D (CHEBI:132339) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,11α)-11-ethoxyurs-12-en-3-ol
Synonym  Source
3β-hydroxy-11α-ethoxyurs-12-eneChEBI
Manual XrefsDatabases
101062653PubChem Compound
Registry NumbersSources
Reaxys:8525025Reaxys
Citations