Cas no 253435-07-3 (Viniferin)

Viniferin structure
Viniferin structure
Product Name:Viniferin
CAS No:253435-07-3
MF:C28H22O6
MW:454.470688343048
CID:2087257
PubChem ID:366354
Update Time:2025-04-21

Viniferin Chemical and Physical Properties

Names and Identifiers

    • Viniferin
    • rel-5-[(2R,3R)-2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol
    • 253435-07-3
    • 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
    • 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
    • MCA25012
    • Cis-epsilon-viniferin
    • Cis-?-viniferin
    • Inchi: 1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H
    • InChI Key: FQWLMRXWKZGLFI-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=C(C=CC3C=CC(=CC=3)O)C=2C(C2C=C(C=C(C=2)O)O)C1C1C=CC(=CC=1)O)O

Computed Properties

  • Exact Mass: 454.14163842g/mol
  • Monoisotopic Mass: 454.14163842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 4
  • Complexity: 672
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 5.4
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.450±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.5E-3 g/L) (25 oC),

Viniferin Pricemore >>

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