4-Methoxyglucobrassicin structure, CAS 83327-21-3

4-Methoxyglucobrassicin

CAS Number83327-21-3

Synonyms(4-Methoxy-3-indolylmethyl)glucosinolate; 4-Methoxyindol-3-methyl glucosinolate; β-D-Glucopyranose, 1-thio-, 1-[4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]; 4-Methoxyglucobrassicin

Molecular FormulaC17H22N2O10S2

Molecular Weight478.494

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Cat. No.: 2A-0202717 Purity:
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Chemical & Physical Properties
CAS Number83327-21-3
Catalog No.2A-0202717
Chinese Name4-methoxyglucobrassicin
Synonyms(4-Methoxy-3-indolylmethyl)glucosinolate; 4-Methoxyindol-3-methyl glucosinolate; β-D-Glucopyranose, 1-thio-, 1-[4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]; 4-Methoxyglucobrassicin
Molecular FormulaC17H22N2O10S2
Molecular Weight478.494
PubChem ID10618
SMILESCOc1cccc2[nH]cc(CC(=NOS(=O)(=O)O)SC3OC(CO)C(O)C(O)C3O)c12
InChIInChI=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
InChI KeyIIAGSABLXRZUSE-UFRBAHOGSA-N
Transport InfoProduct Name: 4-Methoxyglucobrassicin potassium salt
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