6-β-D-Glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

212271-13-1

CAS Name

6-β-D-Glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C44H50O24

Molecular Mass

962.85

Cite this Page

6-β-D-Glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=212271-13-1 (retrieved 2024-12-05) (CAS RN: 212271-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+/t25-,26-,27-,32-,33-,34-,36+,37+,38+,39-,40-,41-,42+,43-,44-/m1/s1

InChIKey

InChIKey=VZEIFXYQETXOPW-KFYUDLFJSA-N

SMILES

O(C1=C(C(O)=C2C(=C1)OC(=CC2=O)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]6O[C@H](COC(/C=C/C7=CC(OC)=C(O)C(OC)=C7)=O)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

O=C(OCC1OC(OC2=CC=3OC(=CC(=O)C3C(O)=C2C4OC(CO)C(O)C(O)C4O)C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=CC5)C(O)C(O)C1O)C=CC7=CC(OC)=C(O)C(OC)=C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-
  • 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
  • 6-β-D-Glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

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