β-D-Glucopyranoside, 3,5-dihydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
CAS Registry Number®
94356-21-5
CAS Name
β-D-Glucopyranoside, 3,5-dihydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)Molecular Formula
C19H20O12Molecular Mass
440.35Cite this Page
β-D-Glucopyranoside, 3,5-dihydroxyphenyl, 6-(3,4,5-trihydroxybenzoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94356-21-5 (retrieved ) (CAS RN: 94356-21-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2/t13-,15-,16+,17-,19-/m1/s1
InChIKey
InChIKey=WVHDGXKUZIDTIN-WIMVFMHDSA-N
SMILES
O([C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=CC(O)=CC(O)=C3
Canonical SMILES
O=C(OCC1OC(OC=2C=C(O)C=C(O)C2)C(O)C(O)C1O)C3=CC(O)=C(O)C(O)=C3
Other Names for this Substance
- β-D-Glucopyranoside, 3,5-dihydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)