3-Deoxyyunaconitine

CAS: 79592-91-9

Ref. TR-D281820

Product Information

• Name: 3-Deoxyyunaconitine
• Synonyms: (1α,6α,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,13,14-triol 8-Acetate 14-(4-methoxybenzoate), (1Alpha,6Alpha,14Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 4-Methoxybenzoate, 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-8,13,14-triol deriv., 8-(Acetyloxy)-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 4-Methoxybenzoate, Aconitane-8,13,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1α,6α,14α,16β)-, Benzoic Acid, 4-Methoxy-, (1Alpha,6Alpha,14Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Ester, Crassicaulin A, Crassicauline I
• CAS: 79592-91-9

Description

Applications 3-Deoxyyunaconitine is a metabolite of Aconitine (A189875), a neurotoxin that binds, activates tetrodotoxin-sensitive Na+ channels and prolongs the opening of the sodium-ion channel by suppressing conformational changes.
References Derbre, S., et al.: Anal. Bioanal. Chem., 398, 1747 (2010), Li, M., et al.: J. Pharm. Biomed. Anal., 53, 1063 (2010),

• Brand: TRC

Chemical properties

• Molecular weight: 643.76
• Formula: C₃₅H₄₉NO₁₀
• Color/Form: White to Off-White Solid
• InChI: InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
• InChI key: InChIKey=GAZDXIGXYWVWQX-YZAGMXQYSA-N
• SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1