Glucocochlearin

CAS Registry Number®

499-24-1

CAS Name

Glucocochlearin

Molecular Formula

C11H21NO9S2

Molecular Mass

375.42

Cite this Page

Glucocochlearin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=499-24-1 (retrieved 2024-12-22) (CAS RN: 499-24-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t5?,6-,7-,8+,9-,11+/m1/s1

InChIKey

InChIKey=TUSWQPFNQXCPGB-FUYPYFFWSA-N

SMILES

S(C(=NOS(=O)(=O)O)C(CC)C)[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)C(C)CC

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[2-methyl-N-(sulfooxy)butanimidate]
  • Glucocochlearin
  • Glucopyranose, 1-thio-, 1-(2-methylbutyrohydroximate) NO-(hydrogen sulfate), β-D-
  • 1-Methylpropyl glucosinolate
  • 2-Butylglucosinolate

Deleted or Replaced CAS Registry Numbers

73039-19-7, 74542-14-6, 78993-10-9, 85880-34-8

CAS INSIGHTSTM
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