3-Deoxyaconitine

• CAT Number: I018552
• CAS Number: 3175-95-9
• Molecular Formula: C₃₄H₄₇NO₁₀
• Molecular Weight: 629.74
• Purity: ≥95%
• Target: Sodium Channel
• 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: 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
• 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

3-Deoxyaconitine (Cat No.: I018552) is a diterpenoid alkaloid derived from Aconitum species, known for its bioactive properties, including neurotoxicity and cardiotoxicity. Structurally related to aconitine, it affects sodium ion channels, leading to altered nerve conduction and muscle excitability. It has been studied in pharmacology for its potential analgesic and anti-inflammatory effects, though its toxicity limits therapeutic applications. Research on 3-deoxyaconitine contributes to understanding aconitine alkaloids’ pharmacological and toxicological profiles, aiding in drug discovery and toxin research in traditional and modern medicine.

Reference

[1]. Gao F, et al. 3-Deoxy-aconitine from the root of Aconitum Carmichaeli Debx. Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1342.