Gibberellin a36
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Formula: C20H26O6
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Molecular weight: 362.40
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Smiles: CC1(C(CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C=O)O)C(=O)O
Gibberellin a36
Names
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Mycotoxin name: Gibberellin a36
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First synonym: Gibberellin a36
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Synonyms: Gibberellin A36,38076-57-2,GA36,(1R,2S,3S,4S,5S,8R,9R,12R)-8-formyl-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid,SCHEMBL20604663,CHEBI:29595,DTXSID00332090,LMPR0104170019,Q27110165,(1R,2S,3S,4S,5S,8R,9R,12R)-8-formyl-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid,4a-formyl-2beta-hydroxy-1beta-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
Identifiers / External links
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CAS: 38076-57-2
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PubChem CID: 443455
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DSS TOX CID: DTXCID50283184
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ChemSpiderID: 391669
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ChEMBL: CHEMBL20604663
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Wikidata (wiki): Q27110165
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Chemical Entities of Biological Interest (CHEBI): CHEBI:29595
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CompTox Chemicals Dashboard (DTXSID): DTXSID00332090
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SCHEMBL: SCHEMBL20604663
Structure
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Smiles: CC1(C(CCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C=O)O)C(=O)O
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Isomeric smiles: C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C=O)O)C(=O)O
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Inchi: InChI=1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
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Inchikey: JZBLVVPDEDCVQA-SQLMURCQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H26O6
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Molecular weight: 362.40
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Monoisotopic mass: 362.17293854
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Fungi
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Fungi id Species 587 Gibberella fujikuroi