CAS: 83327-20-2 - 4-Hydroxyglucobrassicin

Formel: C₁₆H₂₀N₂O₁₀S₂

InChl: InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/t10-,13-,14+,15-,16+/m1/s1

InChI Key: InChIKey=CSMYCLLHRFFFLG-IRHMCKRBSA-N

SMILES: O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CNC=3C=CC=C(O)C32

Synonyme:

• 4-Hydroxyglucobrassicin
• β-D-Glucopyranose, 1-thio-, 1-[4-hydroxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
• (4-Hydroxy-3-indolylmethyl)glucosinolate

4-Hydroxyglucobrassicin Sodium Salt

CAS: 83327-20-2

• Formel: C₁₆H₁₉N₂O₁₀S₂·Na
• Molekulargewicht: 463.45 22.99