(+)-Catechin 3-gallate
CAS Registry Number®
25615-05-8
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CAS Name
(+)-Catechin 3-gallateMolecular Formula
C22H18O10Molecular Mass
442.37Cite this Page
(+)-Catechin 3-gallate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=25615-05-8 (retrieved ) (CAS RN: 25615-05-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1
InChIKey
InChIKey=LSHVYAFMTMFKBA-PZJWPPBQSA-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(O)=C(O)C=C4
Canonical SMILES
O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4
Other Names for this Substance
- Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
- Catechol, 3-gallate, (+)-
- Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-trans)-
- Gallic acid, 3-ester with catechol, (+)-
- (+)-Catechin 3-gallate
