Dehydrailanthinone 1-methyl ether
(4,5-dihydroxy-17-methoxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate
Also Known As: Dehydrailanthinone 1-methyl ether|.DELTA.13-Dehydroailanthinone methyl ether|11,12-Dihydroxy-1-methoxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl 2-methylbutanoate
| Molecular Formula | C26H34O9 |
|---|---|
| Molecular Weight | 490.22028 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.22028 |
| Monoisotopic Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 53683-71-9 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)OC)C)OC1=O)O)O |
| InChIKey | CAAOPESQOADYQF-UHFFFAOYSA-N |
Product Overview
Dehydrailanthinone 1-methyl ether (CAS 53683-71-9), with molecular formula C26H34O9 and molecular weight 490.22028 g/mol. IUPAC: (4,5-dihydroxy-17-methoxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate.
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