(+)-Catechin hydrate

CAS Registry Number®

88191-48-4
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CAS Name

(+)-Catechin hydrate

Molecular Formula

C15H14O6.H2O

Cite this Page

(+)-Catechin hydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88191-48-4 (retrieved 2022-06-26) (CAS RN: 88191-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1

InChIKey

InChIKey=OFUMQWOJBVNKLR-NQQJLSKUSA-N

SMILES

O[C@@H]1[C@H](OC=2C(C1)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3.O

Canonical SMILES

O.OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2)C1

Other Names for this Substance

  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, hydrate (1:1), (2R,3S)-
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R-trans)-
  • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R,3S)-
  • (+)-Catechin hydrate
  • (+)-Catechin monohydrate