5-Hydroxy-2-(4-hydroxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-7-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

77690-93-8
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CAS Name

5-Hydroxy-2-(4-hydroxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-7-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C37H38O17

Molecular Mass

754.69

Cite this Page

5-Hydroxy-2-(4-hydroxyphenyl)-6-[2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-7-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=77690-93-8 (retrieved 2024-09-19) (CAS RN: 77690-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H38O17/c1-49-22-13-23-27(20(41)12-21(51-23)17-5-9-19(40)10-6-17)31(45)28(22)35-36(33(47)29(43)24(14-38)52-35)54-37-34(48)32(46)30(44)25(53-37)15-50-26(42)11-4-16-2-7-18(39)8-3-16/h2-13,24-25,29-30,32-40,43-48H,14-15H2,1H3/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1

InChIKey

InChIKey=GIFDFLYIKYFTAD-MHVCGYIHSA-N

SMILES

O(C)C1=C(C(O)=C2C(=C1)OC(=CC2=O)C3=CC=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](COC(C=CC6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=4C(=O)C=C(OC4C=C3OC)C=5C=CC(O)=CC5)CO)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

84288-69-7