Ciguatoxin
[CAS# 11050-21-8]

Identification

• Name: Ciguatoxin
• Synonyms: Ctx 1; Ciguatoxin 1; Ciguatoxin Ctx 1
• Molecular Formula: C₆₀H₈₆O₁₉
• Molecular Weight: 1111.33
• CAS Registry Number: 11050-21-8
• SMILES: [C@@H]3%13O[C@H]2[C@@H](O[C@@]1(OC[C@@H](O)C1)[C@H]([C@@H]2C)C)[C@@H](O)[C@@H]([C@H]3O[C@@H]%12[C@H](O[C@@H]%11[C@H](O[C@@]%10([C@H](O[C@@H]9[C@H](O[C@@H]8[C@H](O[C@@H]7[C@H](O[C@@H]6[C@H](O[C@@H]5[C@H](O[C@@H]4[C@H](O[C@H](C=CC4)\C=C\[C@H](O)CO)[C@H]5O)C6)C=C7)C=C8)C\C=C/C9)C[C@H]%10O)C%11)C)C[C@@H](C%12)C)C%13)C
• InChI: 1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1
• InChIKey: VYVRIXWNTVOIRD-LRHBOZQDSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)

References

• (1): Michio Murata, Anne M. Legrand, Yoshihiko Ishibashi, Masakazu Fukui, Takeshi Yasumoto. Structures and configurations of ciguatoxin from the moray eel Gymnothorax javanicus and its likely precursor from the dinoflagellate Gambierdiscus toxicus, J. Am. Chem. Soc., 1990, 112 (11), pp 4380–4386