Glucoberteroin

CAS Registry Number®

29611-01-6
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CAS Name

Glucoberteroin

Molecular Formula

C13H25NO9S3

Molecular Mass

435.53

Cite this Page

Glucoberteroin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29611-01-6 (retrieved 2024-05-03) (CAS RN: 29611-01-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/t8-,10-,11+,12-,13+/m1/s1

InChIKey

InChIKey=MEFPHTVXBPLRLX-ZMHPAJMFSA-N

SMILES

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

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCCSC

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[6-(methylthio)-N-(sulfooxy)hexanimidate]
  • Glucopyranose, 1-thio-, 1-[6-(methylthio)hexanohydroximate] NO-(hydrogen sulfate), β-D-
  • Glucoberteroin
  • 5-(Methylthio)pentyl glucosinolate
  • 5-(Methylsulfanyl) pentyl glucosinolate

Deleted or Replaced CAS Registry Numbers

536-07-2, 78993-11-0

CAS INSIGHTSTM
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