Cas no 121404-98-6 (rel-8-Hydroxy-7-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(hydroxymethyl)ethoxy]-6-methoxy-2H-1-benzopyran-2-one)

rel-8-Hydroxy-7-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(hydroxymethyl)ethoxy]-6-methoxy-2H-1-benzopyran-2-one structure
121404-98-6 structure
Product Name:rel-8-Hydroxy-7-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(hydroxymethyl)ethoxy]-6-methoxy-2H-1-benzopyran-2-one
CAS No:121404-98-6
MF:C21H22O10
MW:434.393387317657
CID:5688527
Update Time:2024-02-03

rel-8-Hydroxy-7-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(hydroxymethyl)ethoxy]-6-methoxy-2H-1-benzopyran-2-one Chemical and Physical Properties

Names and Identifiers

    • rel-8-Hydroxy-7-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(hydroxymethyl)ethoxy]-6-methoxy-2H-1-benzopyran-2-one
    • Inchi: 1S/C21H22O10/c1-27-12-7-11(8-13(28-2)18(12)25)17(24)15(9-22)30-21-14(29-3)6-10-4-5-16(23)31-20(10)19(21)26/h4-8,15,17,22,24-26H,9H2,1-3H3/t15-,17-/m1/s1
    • InChI Key: ACIFBXCLQVUKPG-NVXWUHKLSA-N
    • SMILES: C1(=O)OC2=C(O)C(O[C@H](CO)[C@H](O)C3=CC(OC)=C(O)C(OC)=C3)=C(OC)C=C2C=C1

Experimental Properties

  • Density: 1.448±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 746.0±60.0 °C(Predicted)
  • pka: 6.63±0.20(Predicted)
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