4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate)
CAS Registry Number®
105304-51-6
CAS Name
4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate)Molecular Formula
C27H26O12Molecular Mass
542.49Cite this Page
4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=105304-51-6 (retrieved ) (CAS RN: 105304-51-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-5-3-13(4-6-18)1-2-14-7-16(29)11-17(30)8-14/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
InChIKey
InChIKey=MKFHDMUYMGGIRI-XMPPFBFMSA-N
SMILES
O([C@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@@H](CO)O1)C3=CC=C(/C=C/C4=CC(O)=CC(O)=C4)C=C3
Canonical SMILES
O=C(OC1C(O)C(O)C(OC1OC2=CC=C(C=C2)C=CC=3C=C(O)C=C(O)C3)CO)C4=CC(O)=C(O)C(O)=C4
Other Names for this Substance
- β-D-Glucopyranoside, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl, 2-(3,4,5-trihydroxybenzoate)
- β-D-Glucopyranoside, 4-[2-(3,5-dihydroxyphenyl)ethenyl]phenyl, 2-(3,4,5-trihydroxybenzoate), (E)-
- 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate)