CHEBI:67293 - 1,3-diacetylvilasinin

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ChEBI Name 1,3-diacetylvilasinin
ChEBI ID CHEBI:67293
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H40O7
Net Charge 0
Average Mass 512.63440
Monoisotopic Mass 512.27740
InChI InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30-/m0/s1
InChIKey WGBLBVXSYGYVPN-VQDQNZKNSA-N
SMILES CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)c1ccoc1
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). n-Hexane extract of seeds 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,3-diacetylvilasinin (CHEBI:67293) has role metabolite (CHEBI:25212)
1,3-diacetylvilasinin (CHEBI:67293) has role plant metabolite (CHEBI:76924)
1,3-diacetylvilasinin (CHEBI:67293) is a acetate ester (CHEBI:47622)
1,3-diacetylvilasinin (CHEBI:67293) is a furans (CHEBI:24129)
1,3-diacetylvilasinin (CHEBI:67293) is a limonoid (CHEBI:39434)
1,3-diacetylvilasinin (CHEBI:67293) is a pentacyclic triterpenoid (CHEBI:25872)
1,3-diacetylvilasinin (CHEBI:67293) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR,11bR,11cR)-9-(furan-3-yl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3-diyl diacetate
Registry Number Type Source
8023231 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
18 November 2013