Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-

Base Information

Chemical Name:Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
CAS No.:2752-64-9
Molecular Formula:C33H45NO11
Molecular Weight:631.72
Hs Code.:29399990
European Community (EC) Number:220-397-6
UNII:621OT356HL
Metabolomics Workbench ID:68919
Nikkaji Number:J66.879F
Wikidata:Q63395983
Mol file:2752-64-9.mol

Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-

Synonyms:mesaconitine;mesaconitine hydrobromide, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer of mesaconitine;N-desethyl-N-methylaconitine

Suppliers and Price of Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Mesaconitine
20mg
$ 490.00

TRC
Mesaconitine
50mg
$ 690.00

Labseeker
MESACONITINE 98
100mg
$ 550.00

Labseeker
MESACONITINE 98
1g
$ 1167.00

JR MediChem
Mesaconitine 98%
500mg
$ 1680.00

JR MediChem
Mesaconitine 98%
20mg
$ 128.00

JR MediChem
Mesaconitine 98%
100mg
$ 448.00

DC Chemicals
Mesaconitine >98%,StandardReferencesGrade
20 mg
$ 280.00

Crysdot
Mesaconitine 98+%
5mg
$ 50.00

Crysdot
Mesaconitine 98+%
50mg
$ 240.00

Total 77 raw suppliers

Chemical Property of Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-

Chemical Property:

Vapor Pressure:4.45E-21mmHg at 25°C
Melting Point:208-209 °C
Refractive Index:1.618
Boiling Point:695 °C at 760 mmHg
PKA:12.14±0.70(Predicted)
Flash Point:374.1 °C
PSA：153.45000
Density:1.39 g/cm³
LogP:0.19590
Storage Temp.:2-8°C(protect from light)
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:631.29926125
Heavy Atom Count:45
Complexity:1200

Purity/Quality:

99%, ^*data from raw suppliers

Mesaconitine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
Isomeric SMILES:CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](C[C@H]([C@@]7([C@H]5[C@H]([C@H]2[C@H]6N(C7)C)OC)COC)O)OC
Description The structure of this aconitine alkaloid has now been elucidated and shown to be that given above.

Technology Process of Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-

There total 4 articles about Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 3327-35-3
N-desethylaconitine

: 74-88-4
methyl iodide

: 2752-64-9
mesaconitine

Guidance literature:: With calcium carbonate; In methanol; diethyl ether; for 2h; Heating;
DOI:10.1016/S0040-4020(01)86133-0

Reference yield:

: 302-27-2,140188-61-0
indaconitine

: 2752-64-9
mesaconitine

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / K₂CO₃, KMnO₄ / H₂O; acetone / 0.5 h / Ambient temperature

2: 90 percent / CaCO₃ / diethyl ether; methanol / 2 h / Heating

With potassium permanganate; potassium carbonate; calcium carbonate; In methanol; diethyl ether; water; acetone;
DOI:10.1016/S0040-4020(01)86133-0