Brevetoxin A
[CAS# 98112-41-5]

Identification

• Name: Brevetoxin A
• Synonyms: Brevetoxin Pbtx 1; Gb 1; Gb-1 Toxin
• Molecular Formula: C₄₉H₇₀O₁₃
• Molecular Weight: 867.08
• CAS Registry Number: 98112-41-5
• SMILES: C(C%10OC9C(OC8C(OC7C(OC\6C(OC5C(OC4C(OC3C(OC2(C(OC1C(OC(=O)C1)CC(C2)C)C3)C)CC4C)C\C=C/C5)C\C=C6)CCC7)(C8)C)C9)C(O)C%10)C(C=O)=C
• InChI: 1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-
• InChIKey: MGVIMUPHKPHTKF-PMAMELDRSA-N