Cas no 510-50-9 (gibberelic acid methyl ester)

gibberelic acid methyl ester structure
gibberelic acid methyl ester structure
Product Name:gibberelic acid methyl ester
CAS No:510-50-9
MF:C20H24O6
MW:360.4
CID:934656
PubChem ID:10926485
Update Time:2024-02-29

gibberelic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • gibberelic acid methyl ester
    • GA3 methyl ester
    • GIBBERELLIC ACID METHYL ESTER
    • CID 133126565
    • (4bβ)-2β,7-Dihydroxy-1α,4aα-(carbonyloxy)-1β-methyl-8-methylenegibb-3-ene-10β-carboxylic acid 10-methyl ester
    • 1-Methyl-2β,4aα,7-trihydroxy-8-methylene-10β-(methoxycarbonyl)gibba-3-ene-1α-carboxylic acid 1,4a-lactone
    • Gibberellin A3 methyl ester
    • (1S,2S,4aR,4bR,7S,9aS,10S,10aR)-methyl 2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
    • Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1α,2β,4aα,4bβ,10β)-
    • methyl 2beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylate
    • 510-50-9
    • CHEMBL4754522
    • methyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
    • Q27140402
    • O-methyl gibberellin A3
    • CHEBI:73253
    • methyl (1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
    • Inchi: 1S/C20H24O6/c1-10-8-18-9-19(10,24)6-4-11(18)20-7-5-12(21)17(2,16(23)26-20)14(20)13(18)15(22)25-3/h5,7,11-14,21,24H,1,4,6,8-9H2,2-3H3/t11-,12+,13-,14-,17-,18+,19+,20-/m0/s1
    • InChI Key: DCYKYFYDBJFJHO-BVHQCUEGSA-N
    • SMILES: O1C([C@@]2(C)[C@@H](C=C[C@@]31[C@H]2[C@@H](C(=O)OC)[C@@]12CC(=C)[C@@](CC[C@@H]13)(C2)O)O)=O

Computed Properties

  • Exact Mass: 360.15728848g/mol
  • Monoisotopic Mass: 360.15728848g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 787
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 93.1

Experimental Properties

  • Color/Form: No data available
  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 563.5±50.0 °C at 760 mmHg
  • Flash Point: 202.5±23.6 °C
  • Vapor Pressure: 0.0±3.5 mmHg at 25°C

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