3-Acetylyunaconitine

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0700

CAS

80787-51-5

Product Name

3-Acetylyunaconitine

Structure

Product Details

Description

3-Acetylyunaconitine is an alkaloid isolated from the roots of Aconitum episcopale Levl.

Synonyms

3-O-Acetylyunaconitine

IUPAC Name

[(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

Molecular Weight

701.81

Molecular Formula

C37H51NO12

Canonical SMILES

CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)OC(=O)C)COC

InChI

InChI=1S/C37H51NO12/c1-9-38-17-34(18-43-4)24(48-19(2)39)14-25(45-6)37-23-15-35(42)26(46-7)16-36(50-20(3)40,28(31(37)38)29(47-8)30(34)37)27(23)32(35)49-33(41)21-10-12-22(44-5)13-11-21/h10-13,23-32,42H,9,14-18H2,1-8H3/t23-,24-,25+,26+,27-,28?,29+,30-,31-,32-,34+,35+,36-,37+/m1/s1

InChIKey

QXHJUYOYZPRGCF-AXVVCPPBSA-N

Purity

97.5%

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