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

CAS Registry Number®

83104-87-4

CAS Name

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

Molecular Formula

C23H20O11

Molecular Mass

472.40

Cite this Page

Epigallocatechin 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=83104-87-4 (retrieved 2024-12-01) (CAS RN: 83104-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221-223 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WVRDOLPMKOCJRJ-DENIHFKCSA-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(O)=C4

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC(O)=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)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
  • Benzoic acid, 3,4-dihydroxy-5-methoxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-
  • (-)-Epigallocatechin 3-O-(3-O-methylgallate)
  • Epigallocatechin 3-O-(3-O-methyl)gallate
  • (-)-Epigallocatechin 3-(3′′-O-methyl)gallate

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CAS INSIGHTSTM
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