but-3-enylglucosinolate
[CAS# 19041-09-9]

Identification

• Name: but-3-enylglucosinolate
• Synonyms: [1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanylpent-4-Enylideneamino] Sulfate; [1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Pent-4-Enylideneamino] Sulfate; [1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Pent-4-Enylideneamino] Sulfate
• Molecular Formula: C₁₁H₁₈NO₉S₂
• Molecular Weight: 372.38
• CAS Registry Number: 19041-09-9
• SMILES: [C@H]1(SC(=N/O[S]([O-])(=O)=O)/CCC=C)[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O
• InChI: 1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/b12-7+/t6-,8-,9+,10-,11+/m1/s1
• InChIKey: PLYQBXHVYUJNQB-BZVDQRPCSA-M