545-57-3

Basic information

• Product Name: Aconitane-20-carboxaldehyde,8-(acetyloxy)-14-(benzoyloxy)-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-,(1a,3a,6a,14a,15a,16b)- (9CI)
• Synonyms: Oxonitine(6CI); 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-20-carboxaldehyde deriv.; Oxomesaconitine
• CAS NO: 545-57-3
• Molecular Formula: C33H43 N O12
• Molecular Weight: 645.704
• Mol File: 545-57-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Aconitane-20-carboxaldehyde,8-(acetyloxy)-14-(benzoyloxy)-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-,(1a,3a,6a,14a,15a,16b)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Aconitane-20-carboxaldehyde,8-(acetyloxy)-14-(benzoyloxy)-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-,(1a,3a,6a,14a,15a,16b)- (9CI)(545-57-3)
• EPA Substance Registry System: Aconitane-20-carboxaldehyde,8-(acetyloxy)-14-(benzoyloxy)-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-,(1a,3a,6a,14a,15a,16b)- (9CI)(545-57-3)

Safety Data

• Hazardous Substances Data: 545-57-3(Hazardous Substances Data)

Upstream product

• 3327-35-3 desethylaconitine 
• 2752-64-9 mesaconitine 
• 64-19-7 acetic acid 
• 67-64-1 acetone 
• 2752-64-9 mesaconitine 
• 302-27-2 acotinine 
• 302-27-2 aconitine 
• 82323-95-3 C₃₃H₄₅NO₁₂ 

Relevant articles and documents

THE MECHANISM OF THE FORMATION OF OXONITINE BY PERMANGANATE OXIDATION OF ACONITINE

An isotopic labeling study has shown that the N-formyl group of oxonitine, a product of permanganate oxidation of aconitine in a 95:5 acetone-water, originates from the methylene group of the N-ethyl of aconitine.

OXONITINE REVISITED: ITS MECHANISM OF FORMATION FROM ACONITINE

Oxidation of aconitine (2) to oxonitine (1) with KMnO4 proceeds by three mechanisms, involving the CH3 and CH2 carbons of the N-ethyl group and the carbon of the solvent as sources of the N-CHO group of oxonitine.