Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-

CAS Registry Number®

153765-46-9

CAS Name

Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-

Molecular Formula

C27H20O11

Molecular Mass

520.44

Cite this Page

Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153765-46-9 (retrieved 2024-11-05) (CAS RN: 153765-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H20O11/c28-17-5-1-15(9-19(17)30)12-23(26(33)34)37-25(32)8-4-14-3-7-21-22(11-14)38-27(35)24(36-21)13-16-2-6-18(29)20(31)10-16/h1-11,13,23,28-31H,12H2,(H,33,34)/b8-4+,24-13-/t23-/m1/s1

InChIKey

InChIKey=QKDZPQYDQYXJCV-HTJQHIEUSA-N

SMILES

C(=C/C(O[C@H](CC1=CC(O)=C(O)C=C1)C(O)=O)=O)\C=2C=C3C(O/C(=C\C4=CC(O)=C(O)C=C4)/C(=O)O3)=CC2

Canonical SMILES

O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C3OC(=CC4=CC=C(O)C(O)=C4)C(=O)OC3=C2

Other Names for this Substance

  • Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-
  • Benzenepropanoic acid, α-[[3-[2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [R-(Z,E)]-
  • Benzenepropanoic acid, α-[[(2E)-3-[(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-3-oxo-1,4-benzodioxin-6-yl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (αR)-
  • 1,4-Benzodioxin, benzenepropanoic acid deriv.
  • Melitric acid B

CAS INSIGHTSTM
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