Cas no 185846-15-5 (2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel-)

2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel- structure
185846-15-5 structure
Product Name:2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel-
CAS No:185846-15-5
MF:C25H30O6
MW:426.502108097076
CID:227907
PubChem ID:6450172
Update Time:2025-04-19

2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel- Chemical and Physical Properties

Names and Identifiers

    • 2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel-
    • (2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid
    • (5S)-2,5-anhydro-4-deoxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl]-D-erythro-pentonic acid
    • 2-Furancarboxylic acid, tetrahydro-3-hydroxy-5-(17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaenyl)-, (2alpha,3beta,5alpha(1E,3E,5E,7E,9E,11E,15E))-(partial)-
    • Cochliobolic acid
    • 185846-15-5
    • CHEMBL464721
    • BDBM50292386
    • Inchi： 1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19?,20-,23-,24-/m1/s1
    • InChI Key： UWFRQOWLUPERFN-WUSQRGMKSA-N
    • SMILES： O1[C@@H](C(=O)O)[C@@H](C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C(C(/C=C/C(C)CC)=O)=O)O

Computed Properties

  • Exact Mass: 426.20423867g/mol
  • Monoisotopic Mass: 426.20423867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 12
  • Complexity: 810
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 7
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 101?2

2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel- Related Literature

Related Categories

185846-15-5 (2-Furancarboxylic acid,tetrahydro-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaen-1-yl]-,(2R,3R,5S)-rel-) Related Products

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