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glucobrassicin structure, CAS 4356-52-9

glucobrassicin

CAS Number4356-52-9

Synonymsindolylmethyl glucosinolate; Glucobrassicin

Molecular FormulaC16H20N2O9S2

Molecular Weight448.468

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Cat. No.: 2A-0202636 Purity:
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Quality Control of [ 4356-52-9 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number4356-52-9
Catalog No.2A-0202636
Chinese Nameglucobrassicin
Synonymsindolylmethyl glucosinolate; Glucobrassicin
Molecular FormulaC16H20N2O9S2
Molecular Weight448.468
SMILESO=S(=O)(O)ON=C(Cc1c[nH]c2ccccc12)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/b18-12+/t11-,13-,14+,15-,16+/m1/s1
InChI KeyDNDNWOWHUWNBCK-JZYAIQKZSA-N
Transport InfoProduct name: Brassica glucosinolate
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