Epigallocatechin-3-O-(4-O-methyl)gallate

CAS Registry Number®

224434-07-5

CAS Name

Epigallocatechin-3-O-(4-O-methyl)gallate

Molecular Formula

C23H20O11

Molecular Mass

472.40

Cite this Page

Epigallocatechin-3-O-(4-O-methyl)gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=224434-07-5 (retrieved 2024-11-28) (CAS RN: 224434-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226-228 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1

InChIKey

InChIKey=BMJHAAZDURGGSC-TZIWHRDSSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-dihydroxy-4-methoxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
  • Epigallocatechin-3-O-(4-O-methyl)gallate
  • EGCG4′′Me
  • (-)-Epigallocatechin 3-(4′′-O-methyl) gallate
  • 4′′-Methylepigallocatechin gallate

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