CHEBI:132618 - triptotritepenonic acid A

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ChEBI Name triptotritepenonic acid A
ChEBI ID CHEBI:132618
Definition A pentacyclic triterpenoid with formula C30H46O4, originally isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
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Formula C30H46O4
Net Charge 0
Average Mass 470.685
Monoisotopic Mass 470.33961
InChI InChI=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
InChIKey RUJQEBHXYLCSKV-ARWMTBEKSA-N
SMILES C1C(=O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@@]4(C[C@@](C[C@@H]5O)(C)C(O)=O)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-Oxo-22-hydroxy-olean-12-en-29-oic acid ChemIDplus
3-Oxo-22alpha-hydroxy-delta(12)-oleanen-29-oic acid ChemIDplus
Manual Xref Database
192337 PubChem
View more database links
Registry Number Type Source
144629-85-6 CAS Registry Number ChemIDplus
Last Modified
23 November 2016