$130.00
| CAS No.: | 124256-81-1 |
| Molecular Formula | C₃₄H₄₉NO₁₀ |
| Molecular Weight | 631.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Alkaloids |
| Weight |
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IUPAC Name: [(2R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16S,17S,18R)-8-ethoxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChI: InChI=1S/C34H49NO10/c1-7-35-16-31(17-40-3)20(36)14-21(41-4)33-19-15-32(39)28(45-30(38)18-12-10-9-11-13-18)22(19)34(44-8-2,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h9-13,19-29,36-37,39H,7-8,14-17H2,1-6H3/t19-,20-,21+,22?,23+,24+,25-,26+,27+,28-,29+,31+,32-,33?,34-/m1/s1
InChIKey: YFNWMBCDYXJELF-CSEDDMEUSA-N
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OCC)OC)OC)O)COC
Isomeric SMILES: CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@]5([C@H]([C@@H]([C@]6(C[C@@H]4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OCC)OC)OC)O)COC
Synonyms: Spicatine A; 124256-81-1; [ethoxy-ethyl-trihydroxy-trimethoxy-(methoxymethyl)[?]yl] benzoate; 14-(Benzyloxy)-8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13-diol
Botanical Source: Aconitum carmichaelii Debx.
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