1-Benzopyrylium, 3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

CAS Registry Number®

131189-51-0

CAS Name

1-Benzopyrylium, 3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Molecular Formula

C39H43O20

Cite this Page

1-Benzopyrylium, 3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131189-51-0 (retrieved 2024-12-18) (CAS RN: 131189-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H42O20/c1-51-23-10-17(5-6-20(23)42)36-26(13-19-21(43)11-18(41)12-22(19)55-36)56-39-35(50)33(48)37(28(58-39)15-54-38-34(49)32(47)31(46)27(14-40)57-38)59-29(44)7-4-16-8-24(52-2)30(45)25(9-16)53-3/h4-13,27-28,31-35,37-40,46-50H,14-15H2,1-3H3,(H3-,41,42,43,44,45)/p+1

InChIKey

InChIKey=GHSMFVLHRTWFOO-UHFFFAOYSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C=C3)C4OC(COC5OC(CO)C(O)C(O)C5O)C(OC(C=CC6=CC(OC)=C(O)C(OC)=C6)=O)C(O)C4O

Canonical SMILES

O=C(OC1C(O)C(O)C(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(OC)C4)OC1COC5OC(CO)C(O)C(O)C5O)C=CC6=CC(OC)=C(O)C(OC)=C6

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-β-D-glucopyranosyl-4-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Alatanin 2

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.