1-Benzopyrylium, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-
CAS Registry Number®
168753-26-2
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CAS Name
1-Benzopyrylium, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-Molecular Formula
C36H37O18Cite this Page
1-Benzopyrylium, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=168753-26-2 (retrieved ) (CAS RN: 168753-26-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
InChIKey
InChIKey=MLLMLJXCGLXOIJ-AQAMAIGXSA-O
SMILES
O(C=1C2=C([O+]=C(C(O[C@@H]3O[C@H](COC(/C=C/C4=CC(O)=C(O)C=C4)=O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C5=CC=C(O)C=C5)C=C(O)C1)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
Canonical SMILES
O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=CC5)C(O)C(O)C1O)C=CC6=CC=C(O)C(O)=C6
Other Names for this Substance
- 1-Benzopyrylium, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-
- 1-Benzopyrylium, 3-[[6-O-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, (E)-
