Phenethyl Glucosinolate Potassium Salt
[CAS# 499-30-9]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Phenethyl Glucosinolate Potassium Salt
• Synonyms: [[3-Phenyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Propylidene]Amino] Sulfate; [[3-Phenyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Propylidene]Amino] Sulfate; [[3-Phenyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Propylidene]Amino] Sulfate
• Molecular Formula: C₁₅H₂₀NO₉S₂
• Molecular Weight: 422.44
• CAS Registry Number: 499-30-9
• SMILES: [C@H]2(O)[C@H](O)[C@H](O[C@@H](SC(=N/O[S]([O-])(=O)=O)/CCC1=CC=CC=C1)[C@@H]2O)CO
• InChI: 1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/p-1/b16-11+/t10-,12-,13+,14-,15+/m1/s1
• InChIKey: CKIJIGYDFNXSET-MFIRQCQASA-M