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CHEBI:132342 - triptohypol E

ChEBI IDCHEBI:132342
ChEBI Nametriptohypol E
Stars
DefinitionA pentacyclic diterpenoid with formula C31H52O2, originally isolated from the root bark of Tripterygium hypoglaucum.
Last Modified21 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
SMILES[H][C@]12[C@H](OC)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/C31H52O2/c1-19-10-13-28(5)16-17-30(7)21(25(28)20(19)2)18-22(33-9)26-29(6)14-12-24(32)27(3,4)23(29)11-15-31(26,30)8/h18-20,22-26,32H,10-17H2,1-9H3/t19-,20+,22-,23+,24+,25+,26-,28-,29+,30-,31-/m1/s1
InChIKeyDNPBJHZABOJXGA-HPBGPLOVSA-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 E (CHEBI:132342) has parent hydride ursane (CHEBI:35711)
triptohypol E (CHEBI:132342) has role plant metabolite (CHEBI:76924)
triptohypol E (CHEBI:132342) is a ether (CHEBI:25698)
triptohypol E (CHEBI:132342) is a pentacyclic triterpenoid (CHEBI:25872)
triptohypol E (CHEBI:132342) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,11α)-11-methoxyurs-12-en-3-ol
Synonym  Source
3β-hydroxy-11α-methoxyurs-12-eneChEBI
Registry NumbersSources
Reaxys:8524798Reaxys
Citations