Cas no 34620-73-0 (2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)-)

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)- structure
34620-73-0 structure
Product Name:2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)-
CAS No:34620-73-0
MF:C15H14O6
MW:290.268064975739
CID:307150
PubChem ID:12305025
Update Time:2025-04-19

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)-
    • (-)-7:3':4'-trihydroxyflavan-3:4-diol
    • (-)-LEUCOFISETINIDIN
    • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
    • (2S)-2r-(3,4-Dihydroxy-phenyl)-chroman-3t,4c,7-triol
    • AC1MQX7P
    • Fisetinidol-4alpha-ol
    • Leuco-fisetinidin
    • ent-Fisetinidol-4beta-ol
    • (2S,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7-triol
    • (2S,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
    • 34620-73-0
    • DTXSID40393165
    • LMPK12020181
    • CHEBI:196284
    • (2S,3R,4S)-2-(3,4-dihydroxyphenyl)chroman-3,4,7-triol
    • Inchi： 1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m0/s1
    • InChI Key： OFZBQQUVMQGHDJ-ZNMIVQPWSA-N
    • SMILES： O1C2C=C(C=CC=2[C@@H]([C@H]([C@@H]1C1C=CC(=C(C=1)O)O)O)O)O

Computed Properties

  • Exact Mass: 290.07902
  • Monoisotopic Mass: 290.07903816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 364
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 110.38

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4S)- Related Literature

  • 1. 273. Natural occurrence of enantiomorphous leucoanthocyanidian: (+)-mollisacacidin (gleditsin) and quebracho(–)-leucofisetinidin
    J. W. Clark-Lewis,D. G. Roux J. Chem. Soc. 1959 1402
  • 2. Isolation of mopanin from Colophospermum mopane and interrelation of flavonoid components of Peltogyne spp.
    S. E. Drewes,D. G. Roux J. Chem. Soc. C 1967 1407
  • 3. Stereochemistry and biogenesis of mopanols and peltogynols and associated flavanoids from Colophospermum mopane
    S. E. Drewes,D. G. Roux J. Chem. Soc. C 1966 1644
  • 4. Some stereochemically identical biflavanols from the bark tannins of Acacia mearnsii
    S. E. Drewes,D. G. Roux,H. M. Saayman,S. H. Eggers,J. Feeney J. Chem. Soc. C 1967 1302
  • 5. Synthesis of condensed tannins. Part 7. Angular [4,6 : 4,8]-prorobinetinidin triflavanoids from black wattle (‘Mimosa’) bark extract
    Phillip M. Viviers,Jacobus J. Botha,Daneel Ferreira,David G. Roux,Henry M. Saayman J. Chem. Soc. Perkin Trans. 1 1983 17

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