Azaspiracid-3 solution in methanol

Analyte Name

Azaspiracid-3

CAS Number

265996-93-8

Molecular Formula

C46 H69 N O12

Molecular Weight

828.04

Accurate Mass

827.482

SMILES

C[C@H]1CN[C@]2(C[C@H]3O[C@@]4(CC(=C)[C@H]5O[C@](O)(CC[C@@H]5C)[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[C@@H](C)C[C@H](O4)[C@H]3O2)[C@@H](C)C1

InChI

InChI=1S/C46H69NO12/c1-26-19-35-40-37(24-44(57-40)30(5)18-27(2)25-47-44)55-43(22-26,54-35)23-29(4)39-28(3)13-15-45(51,58-39)41(50)36-21-34-33(52-36)20-31(6)46(56-34)17-16-42(59-46)14-9-11-32(53-42)10-7-8-12-38(48)49/h7,9-11,26-28,30-37,39-41,47,50-51H,4,8,12-25H2,1-3,5-6H3,(H,48,49)/b10-7+/t26-,27+,28-,30-,31+,32+,33+,34+,35-,36-,37+,39-,40+,41+,42-,43+,44-,45+,46+/m0/s1

Storage Temperature

-80°C

Shipping Temperature

Dry ice

Country of Origin

SPAIN

Tariff Code

38220000

Matrix

Methanol