3-Acetylmesaconitine

cas: 121897-29-8 — see every product listed under this CAS number, including other names

3-Acetylmesaconitine (CAS 121897-29-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-N17681-Get quote
cas121897-29-8
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[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CAS 121897-29-8) is a chemical compound with the molecular formula C35H47NO12 and a molecular weight of 673.7 g/mol. IUPAC name: [(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. InChIKey: ZJKIRRNNLMCMQW-KPNWVKPLSA-N.

Identity
Molecular formulaC35H47NO12
Molecular weight673.7 g/mol
IUPAC name[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-8,14-diacetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChIKeyZJKIRRNNLMCMQW-KPNWVKPLSA-N
SMILESCC(=O)O[C@@H]1C[C@@H](C23[C@H]4C[C@@]5([C@@H]([C@@H]4[C@]([C@H]([C@@H]5OC)O)(C6C2N(C[C@]1([C@H]3[C@H]6OC)COC)C)OC(=O)C)OC(=O)C7=CC=CC=C7)O)OC

Computed by PubChem (NCBI)

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