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CHEBI:132617 - triptotriterpenic acid C

ChEBI IDCHEBI:132617
ChEBI Nametriptotriterpenic acid C
Stars
DefinitionA pentacyclic triterpenoid with formula C30H48O4, originally isolated from the roots of Tripterygium wilfordii.
Last Modified25 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C)[C@@H](O)C[C@@H](C(=O)O)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23-,24-,27-,28-,29+,30+/m0/s1
InChIKeyIWVWTVWLRSUYNC-YLOASUEESA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) root (BTO:0001188) PubMed (2816380)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
triptotriterpenic acid C (CHEBI:132617) has parent hydride ursane (CHEBI:35711)
triptotriterpenic acid C (CHEBI:132617) has role plant metabolite (CHEBI:76924)
triptotriterpenic acid C (CHEBI:132617) is a diol (CHEBI:23824)
triptotriterpenic acid C (CHEBI:132617) is a hydroxy monocarboxylic acid (CHEBI:35868)
triptotriterpenic acid C (CHEBI:132617) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3β,22α)-3,22-dihydroxyurs-12-en-30-oic acid
Synonyms  Source
tripterygic acid AChEBI
3β,22α-dihydroxyurs-12-en-30-oic acidChEBI
Manual XrefsDatabases
130072PubChem Compound
Registry NumbersSources
Reaxys:9826132Reaxys
Citations