Aconitine

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	302-27-2
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Aconitine.mol

Aconitine
Structural Information
Systematic Name	(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate
Common Name	Aconitine 1-Ethyldecahydro-6,10,13-trimethoxy-3-(methoxymethyl)-2H-12,3,6a-ethanylylidene-7,9-methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol 11a-acetate 8-benzoate 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine aconitane-3,8,13,14,15-pentol deriv.
Symbol
Formula	C34H47NO11
Exact Mass	645.314911351
Average Mass	645.73712
SMILES	OC(C6OC)(C1)C(OC(=O)c(c7)cccc7)C(C(OC(C)=O)(C6O)2)(C(C(C([H])43)(C5OC)C(N(CC4(C(C5)O)COC)CC)C2C3OC)1[H])[H]
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms