Methyl (αR)-α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoate

CAS Registry Number®

178860-70-3

CAS Name

Methyl (αR)-α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoate

Molecular Formula

C25H28O13

Molecular Mass

536.48

Cite this Page

Methyl (αR)-α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178860-70-3 (retrieved 2024-11-12) (CAS RN: 178860-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4+/t18-,19-,21-,22+,23-,25-/m1/s1

InChIKey

InChIKey=FTNAQWBISUHBPD-FAXVFNEJSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(/C=C/C(O[C@H](CC3=CC(O)=C(O)C=C3)C(OC)=O)=O)=CC=C2O

Canonical SMILES

O=C(OC(C(=O)OC)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2

Other Names for this Substance

  • Benzenepropanoic acid, α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, methyl ester, (αR)-
  • Benzenepropanoic acid, α-[[3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, methyl ester, [R-(E)]-
  • Benzenepropanoic acid, α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, methyl ester, (αR)-
  • Methyl (αR)-α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoate

CAS INSIGHTSTM
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