FRCD

Okadaic acid (OA) and dinophysis toxins (DTX1, DTX2, and DTX3) are together termed OA-group toxins. These lipophilic toxins are heat stable, are produced by dinoflagellates and can be found in various species of shellfish, mainly bivalve molluscs. While OA and DTX2 only differ by the position of one methyl group in the molecule, DTX1 has one additional methyl group and DTX3 represents a wide range of derivatives of OA, DTX1 and DTX2 esterified with saturated and unsaturated fatty acids.

(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid

QNDVLZJODHBUFM-AAWJMCDUSA-N

InChI=1S/C44H68O13/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)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37?,38+,39?,41-,42+,43-,44-/m1/s1

CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O

C[C@@H]1CC[C@]2(CCCCO2)OC1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H](C4[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

        
            okadaic acid
        
            78111-17-8
        
            C01945
        
            ro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid
        
            (2R)-2-hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((2R,E)-4-((2R,4a'R,5R,6'S,8'R)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahyd
        

                

                  
                    Predicted: Animal Toxin
                  

                
        

• Hydrocarbon derivatives
• Organic oxides
• Carbonyl compounds
• Dialkyl ethers
• Oxanes
• Oxacyclic compounds
• Secondary alcohols
• Monocarboxylic acids and derivatives
• Carboxylic acids
• Tertiary alcohols
• Pyrans
• Oxolanes
• Alpha hydroxy acids and derivatives