CHEBI:70273 - cabraleadiol monoacetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cabraleadiol monoacetate
ChEBI ID CHEBI:70273
Definition A tetracyclic triterpenoid isolated from Aglaia abbreviata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H54O4
Net Charge 0
Average Mass 502.76880
Monoisotopic Mass 502.40221
InChI InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1
InChIKey MYKPKZPRXSYQEQ-QCPMDXGFSA-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)CC[C@H](O2)C(C)(C)O)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 cabraleadiol monoacetate (CHEBI:70273) has parent hydride dammarane (CHEBI:36488)
cabraleadiol monoacetate (CHEBI:70273) has role plant metabolite (CHEBI:76924)
cabraleadiol monoacetate (CHEBI:70273) is a acetate ester (CHEBI:47622)
cabraleadiol monoacetate (CHEBI:70273) is a oxolanes (CHEBI:26912)
cabraleadiol monoacetate (CHEBI:70273) is a tertiary alcohol (CHEBI:26878)
cabraleadiol monoacetate (CHEBI:70273) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(3α,24S)-25-hydroxy-20,24-epoxydammaran-3-yl acetate
Registry Number Type Source
1442047 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21087017 PubMed citation Europe PMC
Last Modified
01 June 2015