Cas no 647853-82-5 (1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)-)

1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)- structure
647853-82-5 structure
Product Name:1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)-
CAS No:647853-82-5
MF:C23H26O11
MW:478.445948123932
CID:837160
PubChem ID:11167490
Update Time:2025-04-19

1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Trilobatin 2''-acetate
    • 1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxypheny...
    • 3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-acetyl-β -D-glucopyranoside
    • 4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside)
    • 647853-82-5
    • DA-78620
    • [(2S,3R,4S,5S,6R)-2-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
    • FS-8918
    • CS-0016414
    • HY-N1126
    • Trilobatin 2/'/'-acetate
    • AKOS032948118
    • [ "" ]
    • 1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)-
    • Inchi： 1S/C23H26O11/c1-11(25)32-22-21(31)20(30)18(10-24)34-23(22)33-14-8-16(28)19(17(29)9-14)15(27)7-4-12-2-5-13(26)6-3-12/h2-3,5-6,8-9,18,20-24,26,28-31H,4,7,10H2,1H3/t18-,20-,21+,22-,23-/m1/s1
    • InChI Key： QIEAJYJXGQAYRU-DODNOZFWSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)OC(C)=O)OC1C=C(C(C(CCC2C=CC(=CC=2)O)=O)=C(C=1)O)O

Computed Properties

  • Exact Mass: 478.14751164g/mol
  • Monoisotopic Mass: 478.14751164g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9
  • Complexity: 668
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.808
  • Topological Polar Surface Area: 183?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 768.6±60.0 °C at 760 mmHg
  • Flash Point: 264.1±26.4 °C
  • Vapor Pressure: 0.0±2.7 mmHg at 25°C

1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)- Security Information

1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)- Pricemore >>

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1-Propanone, 1-[4-[(2-O-acetyl-b-D-glucopyranosyl)oxy]-2,6-dihydroxyphenyl]-3-(4-hydr oxyphenyl)- Related Literature

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