$96.00
| CAS No.: | 63238-66-4 |
| Molecular Formula | C₃₁H₄₃NO₉ |
| Molecular Weight | 573.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Alkaloids |
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IUPAC Name: [(2R,3R,4R,5R,6S,7S,8R,13S,17R)-5,7,8-trihydroxy-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
InChI: InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18?,19-,20?,21?,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1
InChIKey: MDFCJNFOINXVSU-JSRYRGFVSA-N
Canonical SMILES: CN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)COC
Isomeric SMILES: CN1C[C@@]2(CCC(C34[C@@H]2C(C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC
Synonyms: Benzoylhypaconine; 63238-66-4; Benzoylhypacoitine; [(2R,3R,4R,5R,6S,7S,8R,13S,17R)-5,7,8-Trihydroxy-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; 1ST40292; DA-51029; [(2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-5,7,8-trihydroxy-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
Botanical Source: Aconitum carmichaelii Debx.
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