(-)-Epiafzelechin 3-O-gallate

CAS Registry Number®

108907-43-3

CAS Name

(-)-Epiafzelechin 3-O-gallate

Molecular Formula

C22H18O9

Molecular Mass

426.37

Cite this Page

(-)-Epiafzelechin 3-O-gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108907-43-3 (retrieved 2024-12-19) (CAS RN: 108907-43-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242-244 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1

InChIKey

InChIKey=SDZPYNMXGUHFMZ-TZIWHRDSSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-
  • (-)-Epiafzelechin 3-O-gallate

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.