β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)
CAS Registry Number®
89927-26-4
CAS Name
β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)Molecular Formula
C28H26O18Molecular Mass
650.50Cite this Page
β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=89927-26-4 (retrieved ) (CAS RN: 89927-26-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H26O18/c1-42-28-22(38)24(46-27(41)11-6-16(33)21(37)17(34)7-11)23(45-26(40)10-4-14(31)20(36)15(32)5-10)18(44-28)8-43-25(39)9-2-12(29)19(35)13(30)3-9/h2-7,18,22-24,28-38H,8H2,1H3/t18-,22-,23-,24-,28-/m1/s1
InChIKey
InChIKey=DXMITXYQZDSXOV-PZLTVSJUSA-N
SMILES
O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O)[C@H](OC)O[C@@H]2COC(=O)C4=CC(O)=C(O)C(O)=C4
Canonical SMILES
O=C(OCC1OC(OC)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4
Other Names for this Substance
- β-D-Glucopyranoside, methyl, 3,4,6-tris(3,4,5-trihydroxybenzoate)
- Methyl β-D-glucopyranoside 3,4,6-tri-O-gallate