Beiwutine

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0648

CAS

76918-93-9

Product Name

Beiwutine

Structure

Product Details

Description

Beiwutine is a diester diterpenoid alkaloid found in Aconitum kusnezoffii.

Synonyms

10-Hydroxymesaconitine; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,10,13,14,15-hexol Deriv.; (1α,3α,6α,14α,15α,16β)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,10,13,14,15-hexol-8-acetate-14-benzoate; 10-Hydroxy mesaconitine

IUPAC Name

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Molecular Weight

647.71

Molecular Formula

C33H45NO12

Canonical SMILES

CC(=O)OC12C3C(C4C5(CN(C3C4(C(CC5O)OC)C6(C1C(C(C6)(C(C2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC

InChI

InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20+,21+,22-,23+,24?,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1

InChIKey

GPTAWZLFSGYZGC-JDMPSTDXSA-N

Boiling Point

737.3±60.0°C (Predicted)

Purity

≥90%

Density

1.44±0.1 g/cm3 (Predicted)

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

Appearance

Powder