Glucoraphanin

CAS Registry Number®

21414-41-5
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CAS Name

Glucoraphanin

Molecular Formula

C12H23NO10S3

Molecular Mass

437.51

Cite this Page

Glucoraphanin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21414-41-5 (retrieved 2024-04-20) (CAS RN: 21414-41-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1

InChIKey

InChIKey=GMMLNKINDDUDCF-SISVVIKZSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)-N-(sulfooxy)pentanimidate]
  • Glucopyranose, 1-thio-, 1-[5-(methylsulfinyl)valerohydroximate] NO-(hydrogen sulfate), β-D-
  • Glucoraphanin
  • 4-Methylsulfinylbutyl glucosinolate
  • Glucorafanin

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Deleted or Replaced CAS Registry Numbers

457655-34-4, 1245747-40-3

CAS INSIGHTSTM
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