Okadaic acid sodium salt from Prorocentrum concavum

InChI

1S/C44H68O13.Na/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42;/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49);/q;+1/p-1/b10-9+;/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-;/m1./s1

SMILES string

[Na+].C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@H](O)[C@H]3O[C@@H]4CC[C@@]5(CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(C)=C[C@@]7(O[C@@H](CC[C@H]7O)C[C@@](C)(O)C([O-])=O)O6)O[C@H]4[C@H](O)C3=C

InChI key

BYHIFOCTDVNQQT-GHIYGBLASA-M

biological source

plant (Prorocentrum concavum)

assay

≥90% (HPLC)

form

film

color

translucent

solubility

0.1% acetic acid in CH₃CN: H₂O (1:1): 250 μg/mL, clear, colorless

storage temp.

−20°C

Quality Level

200