Gibberellin A14 aldehyde
(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
Also Known As: Gibberellin A14 aldehyde|J2.777.627B|(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid|(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid|(4bbeta)-10beta-Formyl-2beta-hydroxy-1,4aalpha-dimethyl-8-methylenegibbane-1alpha-carboxylic acid|10beta-formyl-2beta-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid|10beta-Formyl-2beta-hydroxy-1beta,4abeta-dimethyl-8-methylidene-4bbeta-gibbane-1alpha-carboxylic acid
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.19876 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.19876 |
| Monoisotopic Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 35470-76-9 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]([C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C=O)(C)C(=O)O)O |
| InChIKey | YMDYUWHAQBYOMU-HYAYUQHRSA-N |
Product Overview
Gibberellin A14 aldehyde (CAS 35470-76-9), with molecular formula C20H28O4 and molecular weight 332.19876 g/mol. IUPAC: (1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid.
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