1859-08-1 Purity
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Specification
The molecular formula of Desacetylnimbin is C28H34O8.
The molecular weight of Desacetylnimbin is 498.6 g/mol.
Desacetylnimbin can be found in Azadirachta indica.
Desacetylnimbin has a role as a plant metabolite, an antifeedant, and an insect growth regulator.
The IUPAC name of Desacetylnimbin is methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-13-(furan-3-yl)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0 3,8 .0 11,15 ]hexadeca-5,11-diene-4-carboxylate.
The InChIKey of Desacetylnimbin is CTBHKOAPXBDFPX-PQYHCQQJSA-N.
The Canonical SMILES of Desacetylnimbin is CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C.
The CAS number of Desacetylnimbin is 18609-16-0.
Desacetylnimbin has 8 hydrogen bond acceptors.
The topological polar surface area of Desacetylnimbin is 112 Å^2.