2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

87339-51-3
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CAS Name

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C36H36O18

Molecular Mass

756.66

Cite this Page

2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-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=87339-51-3 (retrieved 2024-09-20) (CAS RN: 87339-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/t22-,23-,26-,27-,29+,30+,31-,32-,35-,36+/m1/s1

InChIKey

InChIKey=GTTHRFWSXLOEPD-GJNSQSKTSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)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](COC(C=CC6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=CC4)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′(3)-ester with 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
  • 2-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one