3-[[O-D-Apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

195206-61-2

CAS Name

3-[[O-D-Apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C43H48O25

Molecular Mass

964.83

Cite this Page

3-[[O-D-Apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-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=195206-61-2 (retrieved 2025-02-20) (CAS RN: 195206-61-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1

InChIKey

InChIKey=VSMDAOFJZBLZOB-JFGFUAGISA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C(OC)=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](OC(/C=C/C7=CC(OC)=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O4

Canonical SMILES

O=C(OC1C(O)C(O)C(OC1OCC2OC(OC=3C(=O)C4=C(O)C(OC)=C(O)C=C4OC3C=5C=CC(O)=C(O)C5)C(OC6OCC(O)(CO)C6O)C(O)C2O)CO)C=CC7=CC=C(O)C(OC)=C7

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[O-D-apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-
  • 4H-1-Benzopyran-4-one, 3-[[O-D-apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-
  • 3-[[O-D-Apio-β-D-furanosyl-(1→2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
  • Patuletin 3-(2′′-trans-feruloylglucosyl)-(1→6)-[apiosyl-(1→2)]-glucoside

CAS INSIGHTSTM
Lithium-ion battery