Melitric acid A

CAS Registry Number®

153765-45-8

CAS Name

Melitric acid A

Molecular Formula

C27H22O12

Molecular Mass

538.46

Cite this Page

Melitric acid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153765-45-8 (retrieved 2025-03-13) (CAS RN: 153765-45-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1

InChIKey

InChIKey=MZSGWZGPESCJAN-RAXODLQLSA-N

SMILES

O(/C(=C\C1=CC(O)=C(O)C=C1)/C(O)=O)C2=C(O)C=C(/C=C/C(O[C@H](CC3=CC(O)=C(O)C=C3)C(O)=O)=O)C=C2

Canonical SMILES

O=C(O)C(OC1=CC=C(C=CC(=O)OC(C(=O)O)CC2=CC=C(O)C(O)=C2)C=C1O)=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • Benzenepropanoic acid, α-[[(2E)-3-[4-[[(1Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenyl]oxy]-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)-
  • Benzenepropanoic acid, α-[[3-[4-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethenyl]oxy]-3-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [R-(Z,E)]-
  • Benzenepropanoic acid, α-[[(2E)-3-[4-[[(1Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenyl]oxy]-3-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (αR)-
  • (αR)-α-[[(2E)-3-[4-[[(1Z)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethenyl]oxy]-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
  • Melitric acid A

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