Azaspiracid-1 Solution

Analyte Name

Azaspiracid-1

CAS Number

214899-21-5

Molecular Formula

C47 H71 N O12

Molecular Weight

842.07

Accurate Mass

841.4976

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)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/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34+,35+,36-,37-,38+,40-,41+,42+,43-,44-,45-,46+,47+/m0/s1

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol