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Gibberellin a9

  • Formula: C19H24O4

  • Molecular weight: 316.40

  • Smiles: CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O

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Gibberellin a9

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Gibberellin a9

  • First synonym: Gibberellin a9

  • Synonyms: Gibberellin A9,427-77-0,UNII-SWC5WIK98K,SWC5WIK98K,(1R,2R,5R,8R,9S,10R,11R)-11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid,(1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid,SCHEMBL3370009,CHEBI:29605,Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-,GA9,Q27110172,(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid,1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

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Structure

  • Smiles: CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O

  • Isomeric smiles: C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O

  • Inchi: InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1

  • Inchikey: MHVYWTXXZIFXDT-YGNOGLJPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H24O4

  • Molecular weight: 316.40

  • Monoisotopic mass: 316.16745924

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