466-24-0

Basic information

• Product Name: benzoylaconine
• Synonyms: (15S,16S)-20-Ethyl-1α,6α,16-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 14-benzoate;20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15α-pentol 14-benzoate;Picraconitine;Pikraconitin;14-Benzoylaconine;14-O-Benzoylaconine;Aconine 14-benzoate;Isaconitine
• CAS NO: 466-24-0
• Molecular Formula: C₃₂H₄₅NO₁₀
• Molecular Weight: 603.705
• EINECS: 200-001-8
• Product Categories: chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract
• Mol File: 466-24-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 130°C
• Boiling Point: 652.37°C (rough estimate)
• Flash Point: 384°C
• Appearance: /
• Density: 1.40
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6310 (estimate)
• Storage Temp.: 2-8°C
• PKA: 11.94±0.70(Predicted)
• CAS DataBase Reference: benzoylaconine(CAS DataBase Reference)
• NIST Chemistry Reference: benzoylaconine(466-24-0)
• EPA Substance Registry System: benzoylaconine(466-24-0)

Safety Data

• Hazardous Substances Data: 466-24-0(Hazardous Substances Data)

Usage

Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

InChI:InChI=1/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1

Upstream product

• 302-27-2 acotinine 
• 57-11-4 stearic acid 
• 112-80-1 cis-Octadecenoic acid 
• 57-10-3 1-hexadecylcarboxylic acid 
• 60-33-3 linoleic acid 
• 1002-84-2 palmitic acid 
• 463-40-1 (9Z,12Z,15Z)-octadeca-9-12,15-trienoic acid 

Relevant articles and documents

Metabolite profile analysis of aconitine in rabbit stomach after oral administration by liquid chromatography/electrospray ionization/multiple-stage tandem mass spectrometry

1. Aconitine (AC), an active and highly toxic constituent extracted from aconitum plants, is well known for its excellent effects against rheumatism and rheumatoid arthritis. The metabolism of AC in liver and intestine has been previously reported. However, little is known about the metabolism of AC in stomach. In this study, the metabolite profiling of AC in stomachs of rabbit and rat was performed by liquid chromatography/electrospray ionization/multiple- stage tandem mass spectrometry (LC/ESI/MSn), for the first time. 2. The samples were purified by liquid-liquid extraction, separated using an Agilent extended C18 column following a linear gradient elution and then detected by ESI/MSn in positive ion mode. Metabolites were identified by comparing their protonated molecules, fragmentation patterns and chromatographic behaviors with those of standard compounds and data from authorized literature works. 3. In conclusion, 14 metabolites were identified in animal stomach after oral administration of AC. The presentation of a large amount of metabolites of AC in stomach suggested that, for aconitum alkaloids, the stomach might play an important role in their metabolism.