Agonodepside B
6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid
Also Known As: Agonodepside B|HY-N10242|J1.781.985B|6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid|2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propen-1-yl]-benzoic acid, 4-carboxy-3-hydroxy-2-methyl-5-[(1E)-1-methyl-1-propen-1-yl]phenyl ester|benzoic acid, 4-[[2,4-dihydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]benzoyl]oxy]-2-hydroxy-3-methyl-6-[(1E)-1-methyl-1-propenyl]-|2-Hydroxy-4-[2,4-dihydroxy-3-methyl-6-[(E)-1-methyl-1-propenyl]benzoyloxy]-3-methyl-6-[(E)-1-methyl-1-propenyl]benzoic acid|4-({2,4-dihydroxy-3-methyl-6-[(1E)-1-methylprop-1-en-1-yl]benzoyl}oxy)-2-hydroxy-3-methyl-6-[(1E)-1-methylprop-1-en-1-yl]benzoic acid|4-[2,4-dihydroxy-3-methyl-6-[(E)-1-methylprop-1-enyl]benzoyl]oxy-2-hydroxy-3-methyl-6-[(E)-1-methylprop-1-enyl]benzoic acid|6-((E)-But-2-en-2-yl)-4-((6-((E)-but-2-en-2-yl)-2,4-dihydroxy-3-methylbenzoyl)oxy)-2-hydroxy-3-methylbenzoic acid|6-((E)-but-2-en-2-yl)-4-(6-((E)-but-2-en-2-yl)-2,4-dihydroxy-3-methylbenzoyl)oxy-2-hydroxy-3-methylbenzoic acid|6-[(2E)-but-2-en-2-yl]-4-{6-[(2E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyloxy}-2-hydroxy-3-methylbenzoic acid|N/A
| Molecular Formula | C24H26O7 |
|---|---|
| Molecular Weight | 426.16785 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.16785 |
| Monoisotopic Mass | 426.16785 |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 445298-41-9 |
|---|---|
| SMILES | C/C=C(\C)/C1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)/C(=C/C)/C)C(=O)O)O)C)O)C)O |
| InChIKey | LFTHRDXERPBJOF-MKICQXMISA-N |
Product Overview
Agonodepside B (CAS 445298-41-9), with molecular formula C24H26O7 and molecular weight 426.16785 g/mol. IUPAC: 6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid.
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