Cas no 113393-62-7 (Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI))

Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI) structure
113393-62-7 structure
Product Name:Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI)
CAS No:113393-62-7
MF:C19H24O5
MW:332.390866279602
CID:232660
Update Time:2024-03-01

Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI)
    • 11b-Hydroxy-GA9
    • 11b-Hydroxygibberellin A9
    • 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene,gibbane-1,10-dicarboxylic acid deriv.
    • GA84
    • Gibberellin A84
    • Gibbane-1,10-dicarboxylic acid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,4aα,4bβ,5β,10β)- (9CI)
    • Inchi: 1S/C19H24O5/c1-9-7-18-8-10(9)6-11(20)13(18)19-5-3-4-17(2,16(23)24-19)14(19)12(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
    • InChI Key: QFNOXIVRVOZOPN-UHFFFAOYSA-N
    • SMILES: CC12C3C(C45CC(=C)C(CC(C4C3(OC1=O)CCC2)O)C5)C(=O)O

Computed Properties

  • Exact Mass: 272.08309
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • XLogP3: 1.487

Experimental Properties

  • Density: 1.37±0.1 g/cm3(Predicted)
  • Boiling Point: 569.0±50.0 °C(Predicted)
  • PSA: 52.54
  • pka: 4.21±0.60(Predicted)

Gibbane-1,10-dicarboxylicacid, 4a,5-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,4aa,4bb,5b,10b)- (9CI) Related Literature

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