Deoxynivalenol 3-glucoside

CAS Registry Number®

131180-21-7

CAS Name

Deoxynivalenol 3-glucoside

Molecular Formula

C21H30O11

Molecular Mass

458.46

Cite this Page

Deoxynivalenol 3-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131180-21-7 (retrieved 2024-11-22) (CAS RN: 131180-21-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1

InChIKey

InChIKey=PUMXWMGECQIOGB-SMSDQXDJSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C1)(O[C@]5([C@]2(CO)[C@H](O)C(=O)C(C)=C5)[H])[H])CO3

Canonical SMILES

O=C1C(=CC2OC3C(OC4OC(CO)C(O)C(O)C4O)CC(C)(C53OC5)C2(CO)C1O)C

Other Names for this Substance

  • Trichothec-9-en-8-one, 12,13-epoxy-3-(β-D-glucopyranosyloxy)-7,15-dihydroxy-, (3α,7α)-
  • (3α,7α)-12,13-Epoxy-3-(β-D-glucopyranosyloxy)-7,15-dihydroxytrichothec-9-en-8-one
  • Deoxynivalenol 3-O-glucoside
  • Deoxynivalenol 3β-glucopyranoside
  • Deoxynivalenol 3-glucoside

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration