Epicatechin 3-O-(3-O-methyl)gallate

CAS Registry Number®

83104-86-3
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CAS Name

Epicatechin 3-O-(3-O-methyl)gallate

Molecular Formula

C23H20O10

Molecular Mass

456.40

Cite this Page

Epicatechin 3-O-(3-O-methyl)gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83104-86-3 (retrieved 2024-07-08) (CAS RN: 83104-86-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248-250 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1

InChIKey

InChIKey=XGTBMCGGGJLOPS-IFMALSPDSA-N

SMILES

O(C(=O)C1=CC(OC)=C(O)C(O)=C1)[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=C(O)C(O)=C3)C4=CC(O)=C(O)C(OC)=C4

Other Names for this Substance

  • Benzoic acid, 3,4-dihydroxy-5-methoxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
  • Benzoic acid, 3,4-dihydroxy-5-methoxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-
  • Epicatechin 3-O-(3-O-methyl)gallate
  • (-)-Epicatechin 3-(3′′-O-methyl)gallate