Dinophysistoxin-2
[CAS# 139933-46-3]

Identification

• Name: Dinophysistoxin-2
• Synonyms: 2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(11-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[5,6-B]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methyl-Propanoic Acid; 2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(11-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-2'-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[5,6-B]Pyran-6,5'-Tetrahydrofuran]Yl]-1-Methylprop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methylpropanoic Acid; 2-Hydroxy-3-[11-Hydroxy-2-[(E)-3-[4-Hydroxy-2-[1-Hydroxy-3-(11-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl)Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[5,6-B]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Methyl-Propionic Acid
• Molecular Formula: C₄₄H₆₈O₁₃
• Molecular Weight: 805.01
• CAS Registry Number: 139933-46-3
• SMILES: C(C(O)C5OC4C(OC1(OC(CC1)\C=C\C(C3OC2(OC(CCC2O)CC(O)(C(=O)O)C)C=C(C3)C)C)CC4)C(O)C5=C)C(C7OC6(OCCCC6C)CCC7)C
• InChI: 1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+
• InChIKey: BRFKTXCAUCYQBT-VAWYXSNFSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 921.605°C at 760 mmHg (Cal.)
• Flash point: 269.369°C (Cal.)