trans-p-Sinapoyl-β-D-glucopyranoside

CAS Registry Number®

117405-52-4

CAS Name

trans-p-Sinapoyl-β-D-glucopyranoside

Molecular Formula

C17H22O10

Molecular Mass

386.35

Cite this Page

trans-p-Sinapoyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117405-52-4 (retrieved 2024-11-21) (CAS RN: 117405-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1

InChIKey

InChIKey=KKLWTTVTWMTNBP-KYXYLJOWSA-N

SMILES

O(C1=C(OC)C=C(/C=C/C(O)=O)C=C1OC)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(O)C=CC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1

Other Names for this Substance

  • 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2E)-
  • 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (E)-
  • (2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propenoic acid
  • trans-p-Sinapoyl-β-D-glucopyranoside
  • Sinapic acid 4-O-glucoside

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CAS INSIGHTSTM
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