Scaritoxin
[CAS# 66231-73-0]

Identification

• Name: Scaritoxin
• Synonyms: Ciguatoxin, 1,2-Didehydro-1,2,54-Trideoxy-, (52S)-; Scaritoxin
• Molecular Formula: C₆₀H₈₄O₁₆
• Molecular Weight: 1061.31
• CAS Registry Number: 66231-73-0
• SMILES: [C@@H]3%13O[C@H]2[C@@H](O[C@]1(OCCC1)[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=C)[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/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9+,13-8+/t30-,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: QFYRPKKCVYDHFZ-FKFYNGSCSA-N

Properties

• Density: 1.321g/cm³ (Cal.)