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Product Overview

Product Code

TRC-B689710

CAS Number

107668-79-1

Product Format

Neat

Molecular Formula

C35 H49 N O9

Molecular Weight

627.76

Product Categories

TRC

Product Type

Additive

Documentation

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Product Information

Chemical Data

Analyte Name

Bulleyaconitine A

CAS Number

107668-79-1

Molecular Formula

C35 H49 N O9

Molecular Weight

627.76

Accurate Mass

627.3407

SMILES

CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6C(=O)c7ccc(OC)cc7)OC

InChI

InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,29+,30-,31?,32+,33+,34-,35+/m1/s1

IUPAC

[(1S,2R,3R,4R,5R,6S,8R,9R,10R,13S,16R,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Bulleyaconitine A

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