Certified Calibration Solution for Azaspiracid-2 (AZA2)

Analyte Name

Azaspiracid-2

CAS Number

265996-92-7

Molecular Formula

C48 H73 N O12

Molecular Weight

856.09

Measured Value

1.51 µg/g

Accurate Mass

855.5133

SMILES

C[C@H]1CN[C@]2(C[C@H]3O[C@]4(CC(=C)[C@H]5O[C@@](O)([C@H](O)[C@@H]6C[C@H]7O[C@@]8(CC[C@]9(CC(=C[C@H](O9)\C=C\CCC(=O)O)C)O8)[C@H](C)C[C@H]7O6)[C@H](C)C[C@@H]5C)C[C@@H](C)C[C@H](O4)[C@H]3O2)[C@@H](C)C1

InChI

InChI=1S/C48H73NO12/c1-26-16-34(11-9-10-12-40(50)51)55-44(21-26)13-14-47(61-44)32(7)19-35-36(58-47)20-38(54-35)43(52)48(53)33(8)18-29(4)41(60-48)30(5)23-45-22-27(2)17-37(56-45)42-39(57-45)24-46(59-42)31(6)15-28(3)25-49-46/h9,11,16,27-29,31-39,41-43,49,52-53H,5,10,12-15,17-25H2,1-4,6-8H3,(H,50,51)/b11-9+/t27-,28+,29-,31-,32+,33+,34+,35+,36+,37-,38-,39+,41-,42+,43+,44+,45-,46-,47+,48+/m0/s1

Storage Temperature

-18°C

Shipping Temperature

-18°C

Country of Origin

CANADA

Product Format

Single Solution