Aplysiatoxin
[CAS# 52659-57-1]

Identification

• Name: Aplysiatoxin
• Synonyms: Brn 1675020
• Molecular Formula: C₃₂H₄₇BrO₁₀
• Molecular Weight: 671.62
• CAS Registry Number: 52659-57-1
• SMILES: C1=C(O)C=CC(=C1C(OC)CCC(C4OC23OC(O)(C(CC2(C)C)C)CC(OC(CC(OC(C3)C4C)=O)C(O)C)=O)C)Br
• InChI: 1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3
• InChIKey: RHJPBGWFGOAEID-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 790.259°C at 760 mmHg (Cal.)
• Flash point: 431.733°C (Cal.)