Gallagic acid
CAS Registry Number®
65995-62-2
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CAS Name
Gallagic acidMolecular Formula
C28H14O18Molecular Mass
638.40Cite this Page
Gallagic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=65995-62-2 (retrieved ) (CAS RN: 65995-62-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H14O18/c29-5-1-3(25(39)40)7(17(33)15(5)31)9-13-11-12-14(28(44)46-23(11)21(37)19(9)35)10(20(36)22(38)24(12)45-27(13)43)8-4(26(41)42)2-6(30)16(32)18(8)34/h1-2,29-38H,(H,39,40)(H,41,42)
InChIKey
InChIKey=ZASJRRFAYSNSHU-UHFFFAOYSA-N
SMILES
O=C1C=2C=3C=4C(=C(C(O)=C(O)C4O1)C5=C(C(O)=O)C=C(O)C(O)=C5O)C(=O)OC3C(O)=C(O)C2C6=C(C(O)=O)C=C(O)C(O)=C6O
Canonical SMILES
O=C(O)C1=CC(O)=C(O)C(O)=C1C2=C(O)C(O)=C3OC(=O)C=4C(=C(O)C(O)=C5OC(=O)C2=C3C54)C6=C(O)C(O)=C(O)C=C6C(=O)O
Other Names for this Substance
- Benzoic acid, 2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxy-, stereoisomer
- [1]Benzopyrano[5,4,3-cde][1]benzopyran, benzoic acid deriv.
- stereoisomer of 2,2′-(5,10-Dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoic acid]
- Gallagic acid
