4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-

CAS Registry Number®

220342-43-8

CAS Name

4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-

Molecular Formula

C50H60O30

Molecular Mass

1140.99

Cite this Page

4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=220342-43-8 (retrieved 2024-11-22) (CAS RN: 220342-43-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+/t25-,26-,27-,28-,32-,33-,34-,36+,37+,38+,39-,40-,41-,43-,45-,46-,47-,48+,49+,50+/m1/s1

InChIKey

InChIKey=XDAUDAFKKQNYME-CTZUGDOISA-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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C2)C5=CC=C(O)C=C5)[C@H]6[C@H](O[C@H]7[C@H](OC(/C=C/C8=CC(OC)=C(O)C(OC)=C8)=O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6

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(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C=C4OC3C=7C=CC(O)=CC7)CO)CO)C=CC8=CC(OC)=C(O)C(OC)=C8

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-

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