Epicatechin 3,5-digallate

CAS Registry Number®

37484-74-5
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CAS Name

Epicatechin 3,5-digallate

Molecular Formula

C29H22O14

Molecular Mass

594.48

Cite this Page

Epicatechin 3,5-digallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37484-74-5 (retrieved 2024-09-19) (CAS RN: 37484-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2/t24-,27-/m1/s1

InChIKey

InChIKey=RHDJFGKNTUPFEZ-SHQCIBLASA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2=C3C(O[C@@H]([C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)C3)C5=CC(O)=C(O)C=C5)=CC(O)=C2

Canonical SMILES

O=C(OC1=CC(O)=CC=2OC(C3=CC=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)CC12)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-3,5-diyl] ester, (2R,3R)-
  • Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-3,5-diyl ester, (2R-cis)-
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-3,5-diyl ester
  • (-)-Epicatechin 3,5-digallate
  • (-)-Epicatechin 3,5-di-O-gallate

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