Gibberellin A29-catabolite
(1S,2S,3S,4R,9R,12S)-12-hydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acid
Also Known As: Gibberellin A29-catabolite|J2.777.635C|(1S,2S,3S,4R,9R,12S)-12-hydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acid|7-Hydroxy-1-methyl-8-methylene-3-oxogibba-4-ene-1alpha,10beta-dicarboxylic acid|7-Hydroxy-1beta-methyl-8-methylidene-3-oxo-4bbeta-gibb-4-ene-1alpha,10beta-dicarboxylic acid
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14163 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.14163 |
| Monoisotopic Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 76040-29-4 |
|---|---|
| SMILES | C[C@]1(CC(=O)C=C2[C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)C(=O)O |
| InChIKey | CFYSKMXAQIWPNE-SBECISRQSA-N |
Product Overview
Gibberellin A29-catabolite (CAS 76040-29-4), with molecular formula C19H22O6 and molecular weight 346.14163 g/mol. IUPAC: (1S,2S,3S,4R,9R,12S)-12-hydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acid.
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