Gluconasturtiin

CAS Registry Number®

499-30-9
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CAS Name

Gluconasturtiin

Molecular Formula

C15H21NO9S2

Molecular Mass

423.46

Cite this Page

Gluconasturtiin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=499-30-9 (retrieved 2024-04-19) (CAS RN: 499-30-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1

InChIKey

InChIKey=CKIJIGYDFNXSET-LFHLZQBKSA-N

SMILES

S(C(CCC1=CC=CC=C1)=NOS(=O)(=O)O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCC=2C=CC=CC2

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)benzenepropanimidate]
  • Glucopyranose, 1-thio-, 1-hydrocinnamohydroximate NO-(hydrogen sulfate), β-D-
  • Gluconasturtiin
  • Gluconasturcin
  • 2-Phenylethyl glucosinolate

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Deleted or Replaced CAS Registry Numbers

101144-39-2, 37265-40-0

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