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Substance Name: Glucoraphenin
RN: 28463-24-3
InChIKey: ZFLXCZJBYSPSKU-CRHREIPCSA-N

Molecular Formula

  • C12-H21-N-O10-S3

Molecular Weight

  • 435.4929
 
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Names and Synonyms

Results Name

  • Glucoraphenin

Synonyms

  • 4-Methylsulfinyl-3-butenyl glucosinolate
  • Glucoraphasatin sulfoxide
  • Glucoraphenin

Systematic Name

  • beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)-4- pentenimidate)

Registry Numbers

CAS Registry Number

  • 28463-24-3

Other Registry Numbers

  • 1006431-41-9
  • 1245747-39-0

System Generated Number

  • 0028463243

Structure Descriptors

InChI

1S/C12H21NO10S3/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/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8+/t7-,9-,10+,11-,12+,25?/m1/s1

InChIKey

ZFLXCZJBYSPSKU-CRHREIPCSA-N

Smiles

CS(=O)/C=C/CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O