6-Methylsulfinylhexyl glucosinolate

CAS Registry Number®

33049-17-1
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CAS Name

6-Methylsulfinylhexyl glucosinolate

Molecular Formula

C14H27NO10S3

Molecular Mass

465.56

Cite this Page

6-Methylsulfinylhexyl glucosinolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33049-17-1 (retrieved 2024-09-20) (CAS RN: 33049-17-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/t9-,11-,12+,13-,14+,27?/m1/s1

InChIKey

InChIKey=OOGAQHVYHLPICD-DNDZILKHSA-N

SMILES

S(C(=NOS(=O)(=O)O)CCCCCCS(C)=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=S(C)CCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[7-(methylsulfinyl)-N-(sulfooxy)heptanimidate]
  • Glucohesperalin
  • 6-Methylsulfinylhexyl glucosinolate
  • Glucoalissin
  • Glucohesperin