(+)-Catechin-5-O-β-D-glucopyranoside

CAS Registry Number®

88126-53-8
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CAS Name

(+)-Catechin-5-O-β-D-glucopyranoside

Molecular Formula

C21H24O11

Molecular Mass

452.41

Cite this Page

(+)-Catechin-5-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88126-53-8 (retrieved 2024-09-19) (CAS RN: 88126-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1

InChIKey

InChIKey=ZESJTWVSXGZYTD-FBEISHDNSA-N

SMILES

O(C1=C2C(O[C@@H]([C@@H](O)C2)C3=CC(O)=C(O)C=C3)=CC(O)=C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C3=C(OC(C4=CC=C(O)C(O)=C4)C(O)C3)C1

Other Names for this Substance

  • β-D-Glucopyranoside, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-5-yl
  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-5-yl, (2R-trans)-
  • (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-5-yl β-D-glucopyranoside
  • (+)-Catechin-5-O-β-D-glucopyranoside

Deleted or Replaced CAS Registry Numbers

105330-49-2