4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-
CAS Registry Number®
87891-34-7
CAS Name
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-Molecular Formula
C43H48O24Molecular Mass
948.83Cite this Page
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-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=87891-34-7 (retrieved ) (CAS RN: 87891-34-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C43H48O24/c1-59-22-10-16(2-8-20(22)47)3-9-27(49)60-15-26-31(52)34(55)36(57)41(65-26)61-19-11-21(48)28-23(12-19)62-38(17-4-6-18(46)7-5-17)39(32(28)53)66-43-40(35(56)30(51)25(14-45)64-43)67-42-37(58)33(54)29(50)24(13-44)63-42/h2-12,24-26,29-31,33-37,40-48,50-52,54-58H,13-15H2,1H3
InChIKey
InChIKey=VQYZLJBBIDGISU-UHFFFAOYSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(OC3OC(COC(C=CC4=CC(OC)=C(O)C=C4)=O)C(O)C(O)C3O)C2)C5=CC=C(O)C=C5)C6C(OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C(CO)O6
Canonical SMILES
O=C(OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)=C(OC3=C2)C=6C=CC(O)=CC6)C(O)C(O)C1O)C=CC7=CC=C(O)C(OC)=C7
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (E)-
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 6′(7)-ester with 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E)-
