5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-4H-1-benzopyran-4-one

CAS Registry Number®

99445-33-7

CAS Name

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-4H-1-benzopyran-4-one

Molecular Formula

C37H38O18

Molecular Mass

770.69

Cite this Page

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-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=99445-33-7 (retrieved 2024-12-23) (CAS RN: 99445-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1

InChIKey

InChIKey=PLLYYRRPIIWFON-MHVCGYIHSA-N

SMILES

O([C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C=2C(O)=C3C(=CC2O)OC(=CC3=O)C4=CC(OC)=C(O)C=C4)[C@@H]5O[C@H](COC(C=CC6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C=5C=CC(O)=C(OC)C5)CO)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′′-ester with 6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-4H-1-benzopyran-4-one

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