6900-87-4

Basic information

• Product Name: Hypaconitine
• Synonyms: HYPACONITINE 98% (PRIMARY STANDARD);Aconitane-8,13,14,15-tetrol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-,8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-;(1α,6α,14α,15α,16β)1,6,16-TriMethoxy-4-(MethoxyMethyl)-20-Methylaconitane-8,13,14,15-tetrol 8-Acetate 14-Benzoate;Japaconitine B1;Japaconitine C;Japaconitine C1;Hypaconitine, froM AconituM carMichaeli debx.;(1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-acetatebenzoat
• CAS NO: 6900-87-4
• Molecular Formula: C₃₃H₄₅NO₁₀
• Molecular Weight: 615.72
• Product Categories: Miscellaneous Natural Products;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract
• Mol File: 6900-87-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 197～198℃
• Boiling Point: 671.3oC at 760 mmHg
• Flash Point: 359.8oC
• Appearance: /
• Density: 1.35g/cm3
• Vapor Pressure: 6.18E-19mmHg at 25°C
• Refractive Index: 1.607
• PKA: 12.21±0.70(Predicted)
• CAS DataBase Reference: Hypaconitine(CAS DataBase Reference)
• NIST Chemistry Reference: Hypaconitine(6900-87-4)
• EPA Substance Registry System: Hypaconitine(6900-87-4)

Safety Data

• Safety Statements: 24/25
• RIDADR: 1544
• HazardClass: 6.1(a)
• PackingGroup: I
• Hazardous Substances Data: 6900-87-4(Hazardous Substances Data)

Usage

Chemical Properties

White solid

InChI:InChI=1/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3

Upstream product

• 2752-64-9 mesaconitine 
• 139617-07-5 3-O-(S-methyl)thiocarbonylmesaconitine 
• 3327-35-3 N-desethylaconitine 
• 121236-31-5 3-O-(imidazolylthiocarbonyl)-mesaconitine 

Downstream Products

• 81941-15-3 C₄₉H₇₃NO₁₀ 
• 64-19-7 acetic acid 
• 65-85-0 benzoic acid 

Relevant articles and documents

Studies on Aconitum species. XV. Deoxygenation reaction of aconitine type alkaloids

Mesaconitine (1) in tetrahydrofuran reacted with sodium hydride, a catalytic amount of imidazole, carbon disulfide and methyl iodide at room temperature to give the di-O-(S-methyl)thiocarbonate (5). The reductive cleavage of 5 with tri-n-butyltin hydride