6'-O-Dansyl-gamma-Aminobutyryl Atractyloside
[CAS# 84872-88-8]

Identification

• Name: 6'-O-Dansyl-gamma-Aminobutyryl Atractyloside
• Synonyms: Dgaba
• Molecular Formula: C₄₆H₆₂K₂N₂O₁₉S₃
• Molecular Weight: 1121.37
• CAS Registry Number: 84872-88-8
• SMILES: C167C(C5(C(CC1)C(CC(OC2OC(C(O[S]([O-])(=O)=O)C(O[S]([O-])(=O)=O)C2OC(=O)CC(C)C)COC(=O)CCCN[S](=O)(=O)C3=C4C(=CC=C3)C(=CC=C4)N(C)C)C5)C(=O)O)C)CCC(C6)C(C7O)=C.[K+].[K+]
• InChI: 1S/C46H64N2O19S3.2K/c1-25(2)20-38(50)65-41-40(67-70(59,60)61)39(66-69(56,57)58)34(24-62-37(49)14-9-19-47-68(54,55)35-13-8-10-29-30(35)11-7-12-33(29)48(5)6)64-44(41)63-28-21-31(43(52)53)32-17-18-46-22-27(26(3)42(46)51)15-16-36(46)45(32,4)23-28;;/h7-8,10-13,25,27-28,31-32,34,36,39-42,44,47,51H,3,9,14-24H2,1-2,4-6H3,(H,52,53)(H,56,57,58)(H,59,60,61);;/q;2*+1/p-2
• InChIKey: BDYCYZFMSYOJFY-UHFFFAOYSA-L