Brevetoxin C
[CAS# 82983-92-4]

Identification

• Name: Brevetoxin C
• Molecular Formula: C₄₉H₆₉ClO₁₄
• Molecular Weight: 917.53
• CAS Registry Number: 82983-92-4
• SMILES: C(C%11OC%10C(OC9C(OC\8C(OC7C(OC6C(OC5(C(OC4C(OC3C(OC2C(OC1C(OC(=O)C=C1C)C2)(C3)C)CC4C)CC5)C6)C)(C7)C)(C\C=C8)C)C9)C%10)(C(O)C%11)C)C(=O)CCl
• InChI: 1S/C49H69ClO14/c1-24-13-30-35(21-47(5)37(57-30)19-34-44(63-47)25(2)14-42(53)59-34)56-29-10-12-46(4)38(60-43(24)29)20-39-48(6,64-46)22-41-45(3,62-39)11-8-9-28-31(58-41)17-33-32(55-28)18-40-49(7,61-33)36(52)16-27(54-40)15-26(51)23-50/h8-9,14,24,27-41,43-44,52H,10-13,15-23H2,1-7H3/b9-8-
• InChIKey: LLWZTLRNRYPFBO-HJWRWDBZSA-N