Robustaol A
3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
Also Known As: Robustaol A|Robustaol|J2.771.411K|3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde|3-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde|3-[2,6-Dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)benzyl]-2,4,6-trihydroxy-5-(3-methylbutyryl)benzaldehyde
| Molecular Formula | C25H30O9 |
|---|---|
| Molecular Weight | 474.189 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.189 |
| Monoisotopic Mass | 474.189 |
| Heavy Atoms | 34 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 78411-76-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)C(=O)C(C)C)O)CC2=C(C(=C(C(=C2O)C(=O)CC(C)C)O)C=O)O)O |
| InChIKey | VQIUVVRPDIFIPV-UHFFFAOYSA-N |
Product Overview
Robustaol A (CAS 78411-76-4), with molecular formula C25H30O9 and molecular weight 474.189 g/mol. IUPAC: 3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde.
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