6'-O-4-Azidobenzoylatractyloside
[CAS# 83579-68-4]

Identification

• Name: 6'-O-4-Azidobenzoylatractyloside
• Synonyms: 6'-O-4-Azidobenzoylatractyloside; 6'-O-Para-Azidobenzoyl-Atractyloside; Pab-Atr
• Molecular Formula: C₃₇H₄₇K₂N₃O₁₇S₂
• Molecular Weight: 948.10
• CAS Registry Number: 83579-68-4
• SMILES: N(=[N+]=[N-])C6=CC=C(C(OCC5OC(OC4CC3(C2C1(C(O)C(C(C1)CC2)=C)CCC3C(C4)C(=O)O)C)C(OC(=O)CC(C)C)C(O[S]([O-])(=O)=O)C5O[S]([O-])(=O)=O)=O)C=C6.[K+].[K+]
• InChI: 1S/C37H49N3O17S2.2K/c1-18(2)13-28(41)55-31-30(57-59(49,50)51)29(56-58(46,47)48)26(17-52-34(45)20-5-8-22(9-6-20)39-40-38)54-35(31)53-23-14-24(33(43)44)25-11-12-37-15-21(19(3)32(37)42)7-10-27(37)36(25,4)16-23;;/h5-6,8-9,18,21,23-27,29-32,35,42H,3,7,10-17H2,1-2,4H3,(H,43,44)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2
• InChIKey: URFQPLVDKMKARK-UHFFFAOYSA-L