1,3,4-Tri-O-galloyl-β-D-glucopyranose
CAS Registry Number®
193484-86-5
CAS Name
1,3,4-Tri-O-galloyl-β-D-glucopyranoseMolecular Formula
C27H24O18Molecular Mass
636.47Cite this Page
1,3,4-Tri-O-galloyl-β-D-glucopyranose. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=193484-86-5 (retrieved ) (CAS RN: 193484-86-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)21(38)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23-,27+/m1/s1
InChIKey
InChIKey=YYJNEVBVNQOVIM-BTPAJHBMSA-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)C4=CC(O)=C(O)C(O)=C4)O[C@@H]2CO
Canonical SMILES
O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1O)C4=CC(O)=C(O)C(O)=C4
Other Names for this Substance
- β-D-Glucopyranose, 1,3,4-tris(3,4,5-trihydroxybenzoate)
- 1,3,4-Tri-O-galloyl-β-glucopyranose
- 1,3,4-Tri-O-galloyl-β-D-glucopyranose