CAS 1110-56-1 appears in our catalog under these names: 3-Deacetylsalannin, >95% (HPLC), 3-Desacetylsalannin, Deacetylsalannin. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 1 mg.
3-deacetylsalannin is a limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of furans, a methyl ester, an organic heteropentacyclic compound and a limonoid. It is functionally related to a salannin and a tiglic acid.
Source: ChEBI
| Molecular formula | C32H42O8 |
|---|---|
| Molecular weight | 554.7 g/mol |
| IUPAC name | [(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate |
| InChIKey | MJNRBOGIPLCVIM-LJEOTECVSA-N |
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)O |
Computed by PubChem (NCBI)