Aconitine
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Product Description
Product
Aconitine
CAS
302-27-2
Formula
C34H47NO11
Synonym
ACONITINE; aconitine(crystalline); (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; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.; ACETYLBENZOYLACONINE; ACONITANE; Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1a,3a,6a,14a,15a,16ß)-; ACONITANE-3,8,13,14,15-PENTOL,20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-,8-ACETATE14-BENZOATE,(1ALPHA,3ALPHA,6ALPHA,14ALPHA,15ALPHA,16BETA)-; ACONITIN; Aconitin cristallisat; aconitincristallisat
Typical Product Specifications
Molecular weight
645.74
EINECS
206-121-7
InChI
1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3
InChIKey
XFSBVAOIAHNAPC-UHFFFAOYSA-N
Water solubility
310 mg/L
Vapor Pressure
1.38E-20 mm Hg
Atmospheric OH Rate Constant
1.84E-10 cm3/molecule-sec
Melting Point
204 ° C
Henry's Law Constant
4.53E-26 atm-m3/mole
log P (octanol-water)
0.130
Class
Industry
Functions
Aconitine
Product Description
Product
Aconitine
CAS
302-27-2
Formula
C34H47NO11
Synonym
ACONITINE; aconitine(crystalline); (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; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.; ACETYLBENZOYLACONINE; ACONITANE; Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1a,3a,6a,14a,15a,16ß)-; ACONITANE-3,8,13,14,15-PENTOL,20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-,8-ACETATE14-BENZOATE,(1ALPHA,3ALPHA,6ALPHA,14ALPHA,15ALPHA,16BETA)-; ACONITIN; Aconitin cristallisat; aconitincristallisat
Typical Product Specifications
Molecular weight
645.74
EINECS
206-121-7
InChI
1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3
InChIKey
XFSBVAOIAHNAPC-UHFFFAOYSA-N
Water solubility
310 mg/L
Vapor Pressure
1.38E-20 mm Hg
Atmospheric OH Rate Constant
1.84E-10 cm3/molecule-sec
Melting Point
204 ° C
Henry's Law Constant
4.53E-26 atm-m3/mole
log P (octanol-water)
0.130
Class
Industry
Functions
