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

CAS Registry Number®

151649-67-1

CAS Name

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

Molecular Formula

C42H46O25

Molecular Mass

950.80

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-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=151649-67-1 (retrieved 2024-11-23) (CAS RN: 151649-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1

InChIKey

InChIKey=QBXRXORKIXERDE-QLYLRAMCSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O)=C(O)C=C4)[C@H]5[C@H](O[C@H]6[C@H](OC(/C=C/C7=CC(O)=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5

Canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC2C(O)C(O)C(OC2OC=3C(=O)C4=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C=C4OC3C=6C=CC(O)=C(O)C6)CO)CO)C=CC7=CC=C(O)C(O)=C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-
  • 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2′′-ester with 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, (E)-
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[2-O-[2-O-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-, (E)-

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Deleted or Replaced CAS Registry Numbers

194235-06-8

CAS INSIGHTSTM
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