4-Methoxyglucobrassicin
[CAS# 83327-21-3]

Identification

• Name: 4-Methoxyglucobrassicin
• Synonyms: C08423
• Molecular Formula: C₁₇H₂₁N₂O₁₀S₂
• Molecular Weight: 477.48
• CAS Registry Number: 83327-21-3
• SMILES: [C@@H]3(SC(=N/O[S]([O-])(=O)=O)\CC1=C[NH]C2=C1C(=CC=C2)OC)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/p-1/b19-12-/t11-,14-,15+,16-,17+/m1/s1
• InChIKey: IIAGSABLXRZUSE-KYKLFQSUSA-M