Pectenotoxin-2 (PTX2) solution 5.13 ± 0.15 µmol/L in methanol

Analyte Name

Pectenotoxin-2

CAS Number

97564-91-5

Molecular Formula

C47H70O14

Molecular Weight

859.05

Measured Value

5.13 µmol/L

Accurate Mass

858.4766

SMILES

C[C@@H]1C[C@@]2(C)CC[C@@H](O2)[C@@]34CC[C@@](C)(C[C@@H](O3)[C@H]5O[C@](C)(CC5=O)[C@@H](O)[C@@H]6CC[C@@]7(CCC[C@H](O7)[C@@H](C)C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C\1)\C)[C@@]9(O)OCC[C@@H](C)[C@H]9O)O6)O4

InChI

InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,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