Potassium (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(6S,9R,10S)-9-Methyl-5,11-Dioxaspiro[5.5]Undecan-10-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[3,2-b]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Allyl]-7-Hydroxy-2-Methyl-5,11-Dioxaspiro[5.5]Undec-1-En-10-Yl]-2-Hydroxy-2-Methyl-Propanoate
[CAS# 209266-79-5]

Identification

• Name: Potassium (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(6S,9R,10S)-9-Methyl-5,11-Dioxaspiro[5.5]Undecan-10-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[3,2-b]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Allyl]-7-Hydroxy-2-Methyl-5,11-Dioxaspiro[5.5]Undec-1-En-10-Yl]-2-Hydroxy-2-Methyl-Propanoate
• Synonyms: Okadaic acid.Potassium Salt, Prorocentrum concavum
• Molecular Formula: C₄₄H₆₇KO₁₃
• Molecular Weight: 843.09
• CAS Registry Number: 209266-79-5
• SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)[O-])O)O)C)O)O.[K+]
• InChI: 1S/C44H68O13.K/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
• InChIKey: UXRQUXBFVICHQJ-GHIYGBLASA-M

Properties

• Melting point: 164-166°C (Expl.)
• Refractive index: (Cal.)