$75.00
| CAS No.: | 3175-95-9 |
| Molecular Formula | C₃₄H₄₇NO₁₀ |
| Molecular Weight | 629.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Alkaloids |
| Weight |
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IUPAC Name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-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/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
InChIKey: PHASMOUKYDUAOZ-IXLJIIPOSA-N
Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC
Isomeric SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](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)OC(=O)C)OC)OC)COC
Synonyms: Deoxyaconitine; 3-Deoxyaconitine; 3175-95-9; Deoxyaconitine, 3-; CHEMBL2062827; CHEBI:132636; s3237; AC-34819; …
Botanical Source: Aconitum carmichaelii Debx.
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