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CHEBI:132618 - triptotritepenonic acid A

ChEBI IDCHEBI:132618
ChEBI Nametriptotritepenonic acid A
Stars
DefinitionA pentacyclic triterpenoid with formula C30H46O4, originally isolated from Tripterygium wilfordii.
Last Modified23 November 2016
Submitterliuqingping
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILES[H][C@]12CC=C3[C@@]4([H])C[C@@](C)(C(=O)O)C[C@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H46O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,23+,26-,27-,28+,29-,30-/m1/s1
InChIKeyRUJQEBHXYLCSKV-ARWMTBEKSA-N
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)
triptotritepenonic acid A (CHEBI:132618) has functional parent ursane (CHEBI:35711)
triptotritepenonic acid A (CHEBI:132618) has role plant metabolite (CHEBI:76924)
triptotritepenonic acid A (CHEBI:132618) is a cyclic ketone (CHEBI:3992)
triptotritepenonic acid A (CHEBI:132618) is a hydroxy monocarboxylic acid (CHEBI:35868)
triptotritepenonic acid A (CHEBI:132618) is a pentacyclic triterpenoid (CHEBI:25872)
triptotritepenonic acid A (CHEBI:132618) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(18α,22α)-22-hydroxy-3-oxoolean-12-en-30-oic acid
Synonyms  Source
3-Oxo-22-hydroxy-olean-12-en-29-oic acidChemIDplus
3-Oxo-22alpha-hydroxy-delta(12)-oleanen-29-oic acidChemIDplus
Manual XrefsDatabases
192337PubChem Compound
Registry NumbersSources
CAS:144629-85-6ChemIDplus