3-O-(2,3-Dimethylbutanoyl)-13-O-decanoylingenol

cas: 76663-56-4 — see every product listed under this CAS number, including other names

3-O-(2,3-Dimethylbutanoyl)-13-O-decanoylingenol (CAS 76663-56-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas76663-56-4
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Structural formula: {0} (CAS {1})

[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] decanoate (CAS 76663-56-4) is a chemical compound with the molecular formula C36H56O8 and a molecular weight of 616.8 g/mol. IUPAC name: [(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] decanoate. InChIKey: VHVJBYQIZINFQS-YJQDPXNASA-N.

Identity
Molecular formulaC36H56O8
Molecular weight616.8 g/mol
IUPAC name[(1S,4S,5S,6R,9S,10R,12S,14R)-4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] decanoate
InChIKeyVHVJBYQIZINFQS-YJQDPXNASA-N
SMILESCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]34C=C([C@@H]([C@]3([C@@H](C(=C[C@@H]([C@@H]1C2(C)C)C4=O)CO)O)O)OC(=O)C(C)C(C)C)C)C

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