Cas no 28535-69-5 (Gibberellin A25)

Gibberellin A25 structure
Gibberellin A25 structure
Product Name:Gibberellin A25
CAS No:28535-69-5
MF:C20H26O6
MW:362.416846752167
CID:255043
PubChem ID:14464358
Update Time:2024-02-29

Gibberellin A25 Chemical and Physical Properties

Names and Identifiers

    • Gibbane-1,4a,10-tricarboxylicacid, 1-methyl-8-methylene-, (1a,4aa,4bb,10b)-
    • 1-Methyl-8-methylenegibbane-1α,4aα,10β-tricarboxylic acid
    • 4aa,4bb-Gibbane-1a,4a,10b-tricarboxylic acid,1-methyl-8-methylene- (8CI)
    • 4aH-7,9a-Methanobenz[a]azulene,gibbane-1,4a,10-tricarboxylic acid deriv.
    • Gibberellin A25
    • Q27140006
    • (1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid
    • (1R,2S,3R,4R,8R,9R,12R)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
    • Gibbane-1,4a,10-tricarboxylic acid, 1-methyl-8-methylene-, (1.alpha.,4a.alpha.,4b.beta.,10.beta.)-
    • 28535-69-5
    • (1alpha,4aalpha,4bbeta,10beta)-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid
    • DTXSID401033806
    • CHEBI:72601
    • GA25
    • Inchi: 1S/C20H26O6/c1-10-8-19-9-11(10)4-5-12(19)20(17(25)26)7-3-6-18(2,16(23)24)14(20)13(19)15(21)22/h11-14H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,14-,18-,19+,20-/m1/s1
    • InChI Key: XOUJCIPAKFLTCI-POPXMCHDSA-N
    • SMILES: OC([C@@]12CCC[C@](C(=O)O)(C)[C@H]1[C@H](C(=O)O)[C@]13CC(=C)[C@H](CC[C@H]12)C3)=O

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: 728
  • 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
  • XLogP3: 2.4
  • Topological Polar Surface Area: 112
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