Progoitrin
[CAS# 585-95-5]

Identification

• Name: Progoitrin
• Synonyms: [[(3R)-3-Hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Pent-4-Enylidene]Amino] Sulfate; [[(3R)-3-Hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Pent-4-Enylidene]Amino] Sulfate; [[(3R)-3-Hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Pent-4-Enylidene]Amino] Sulfate
• Molecular Formula: C₁₁H₁₈NO₁₀S₂
• Molecular Weight: 388.38
• CAS Registry Number: 585-95-5
• SMILES: [C@H]1(O)[C@H](O)[C@H](O[C@@H](SC(=N/O[S]([O-])(=O)=O)/C[C@@H](O)C=C)[C@@H]1O)CO
• InChI: 1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7+/t5-,6+,8+,9-,10+,11-/m0/s1
• InChIKey: MYHSVHWQEVDFQT-INZKYMGHSA-M