CHEBI:70263 - aglaiabbreviatin B

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ChEBI Name aglaiabbreviatin B
ChEBI ID CHEBI:70263
Definition A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H44O4
Net Charge 0
Average Mass 456.65730
Monoisotopic Mass 456.32396
InChI InChI=1S/C29H44O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h13,17,19-23H,8-12,14-16H2,1-7H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+/m1/s1
InChIKey QTFVCZBNOHEKLA-LKJFLBAOSA-N
SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@@]2(C)OC(=O)C=C2)C1(C)C
Metabolite of Species Details
Aglaia abbreviata (IPNI:576946-1) Found in stem (BTO:0001300). 95% ethanolic extract of air-dried stems See: PubMed
Roles Classification
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 aglaiabbreviatin B (CHEBI:70263) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin B (CHEBI:70263) is a acetate ester (CHEBI:47622)
aglaiabbreviatin B (CHEBI:70263) is a butenolide (CHEBI:50523)
aglaiabbreviatin B (CHEBI:70263) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
rel-(3α,5α)-4,4,8,14-tetramethyl-24-oxo-20,24-epoxy-18-norchol-22-en-3-yl acetate
Registry Number Type Source
21155749 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21087017 PubMed citation Europe PMC
Last Modified
01 June 2015