(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-2H-pyran-5-carboxylic acid

CAS Registry Number®

61186-25-2

CAS Name

(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-2H-pyran-5-carboxylic acid

Molecular Formula

C26H32O13

Molecular Mass

552.52

Cite this Page

(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-2H-pyran-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61186-25-2 (retrieved 2024-12-22) (CAS RN: 61186-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(29)7-5-13-4-6-17(28)18(10-13)35-2)16(24(33)34)12-37-25(14)39-26-23(32)22(31)21(30)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-28,30-32H,1,8-9,11H2,2H3,(H,33,34)

InChIKey

InChIKey=PLTGIFOLPHETSZ-UHFFFAOYSA-N

SMILES

C(=C)C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(O)=O)C1CCOC(C=CC3=CC(OC)=C(O)C=C3)=O

Canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C=CC3=CC=C(O)C(OC)=C3

Other Names for this Substance

  • 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-, (2S,3R,4S)-
  • 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]ethyl]-, [2S-[2α,3β,4β(E)]]-
  • 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]ethyl]-, (2S,3R,4S)-
  • (2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-2H-pyran-5-carboxylic acid
  • Methylgrandifloroside

CAS INSIGHTSTM
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