4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-
CAS Registry Number®
CAS Name
4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-Molecular Formula
C44H50O25Molecular Mass
978.85Cite this Page
4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=112208-89-6 (retrieved ) (CAS RN: 112208-89-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3
InChIKey
InChIKey=JLYSGWXWSOZJMT-UHFFFAOYSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(OC3C(OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C(CO)O3)C2)C5=CC=C(O)C=C5)C6C(OC(C=CC7=CC(OC)=C(O)C(OC)=C7)=O)C(O)C(O)C(CO)O6
Canonical SMILES
O=C(OC1C(O)C(O)C(OC1OC=2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)C=C3OC2C=6C=CC(O)=CC6)CO)C=CC7=CC(OC)=C(O)C(OC)=C7
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-
- 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, 2′-ester with 3-(β-D-glucopyranosyloxy)-7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E)-