4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-

CAS Registry Number®

146367-93-3

CAS Name

4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-

Molecular Formula

C26H26O15

Molecular Mass

578.48

Cite this Page

4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146367-93-3 (retrieved 2024-11-24) (CAS RN: 146367-93-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H26O15/c1-35-14-5-16-15(38-9-39-16)4-11(14)12-7-36-17-3-10(2-13(27)21(17)22(12)31)40-26-25(34)24(33)23(32)18(41-26)8-37-20(30)6-19(28)29/h2-5,12,18,23-27,32-34H,6-9H2,1H3,(H,28,29)

InChIKey

InChIKey=LTKZEZHCMRVAQG-UHFFFAOYSA-N

SMILES

O(C)C1=C(C=C2C(=C1)OCO2)C3C(=O)C=4C(OC3)=CC(OC5OC(COC(CC(O)=O)=O)C(O)C(O)C5O)=CC4O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(C4=CC=5OCOC5C=C4OC)COC3=C2)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-
  • Propanedioic acid, 6′-ester with 7-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
  • Cicerin 7-(6-malonylglucoside)

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