4H-1-Benzopyran-4-one, 3-[[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-

CAS Registry Number®

149402-86-8

CAS Name

4H-1-Benzopyran-4-one, 3-[[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-

Molecular Formula

C33H40O18

Molecular Mass

724.66

Cite this Page

4H-1-Benzopyran-4-one, 3-[[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149402-86-8 (retrieved 2024-11-25) (CAS RN: 149402-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)/t17-,22-,23-,25-,32+,33?/m1/s1

InChIKey

InChIKey=CVXKGASPLHAFDX-ACIMVYIHSA-N

SMILES

O(C)C1=C2C(=C(OC)C(OC)=C1OC)OC(=C(O[C@@H]3O[C@H](CO)[C@@H](OC(CC(CC(O)=O)(C)O)=O)[C@H](O)[C@H]3O)C2=O)C4=CC(OC)=C(OC)C=C4

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)OC1C(O)C(O)C(OC=2C(=O)C=3C(OC2C=4C=CC(OC)=C(OC)C4)=C(OC)C(OC)=C(OC)C3OC)OC1CO

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-
  • Pentanedioic acid, 3-hydroxy-3-methyl-, 4′-ester with 2-(3,4-dimethoxyphenyl)-3-(β-D-glucopyranosyloxy)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

Deleted or Replaced CAS Registry Numbers

1648699-66-4

CAS INSIGHTSTM
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