Cas no 6980-44-5 (Gibberellin A19)

Gibberellin A19 structure
Gibberellin A19 structure
Product Name:Gibberellin A19
CAS No:6980-44-5
MF:C20H26O6
MW:362.42
CID:974269
PubChem ID:5460209
Update Time:2024-02-29

Gibberellin A19 Chemical and Physical Properties

Names and Identifiers

    • gibberellin A(19)
    • CID 138401579
    • (4bβ)-4aα-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid
    • 4aα-Formyl-7-hydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid
    • Bamboo gibberellin
    • (1R,4aR,4bR,7S,9aS,10S,10aS)-4a-formyl-7-hydroxy-1-methyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid
    • GA19
    • Gibbane-1,10-dicarboxylic acid, 4a-formyl-7-hydroxy-1-methyl-8-methylene-, (1α,4aα,4bβ,10β)-
    • DTXSID50990063
    • LMPR0104170039
    • 4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
    • Q27103870
    • Gibbane-1,10-dicarboxylic acid, 4a-formyl-7-hydroxy-1-methyl-8-methylene-, (1.alpha.,4a.alpha.,4b.beta.,10.beats.)-
    • SCHEMBL11413048
    • (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
    • (1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
    • Gibberellin 19
    • GA19 cpd
    • 6980-44-5
    • Gibberellin A19
    • CHEBI:28731
    • Inchi: 1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13?,14?,17+,18+,19-,20-/m0/s1
    • InChI Key: VNCQCPQAMDQEBY-HVMJLWHZSA-N
    • SMILES: O[C@]12C(=C)C[C@@]3(C1)C(C(=O)O)C1[C@@](C(=O)O)(C)CCC[C@@]1(C=O)[C@@H]3CC2

Computed Properties

  • Exact Mass: 362.17293854g/mol
  • Monoisotopic Mass: 362.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 730
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 112
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 553.0±50.0 °C at 760 mmHg
  • Flash Point: 302.3±26.6 °C
  • Vapor Pressure: 0.0±3.4 mmHg at 25°C
  • pka: 4.09±0.70(Predicted)

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