EUPACHLORIN ACETATE
[7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate
Also Known As: EUPACHLORIN ACETATE|NCI60_000330|[7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate|7-(acetyloxy)-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
| Molecular Formula | C22H27ClO8 |
|---|---|
| Molecular Weight | 454.13943 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13943 |
| Monoisotopic Mass | 454.13943 |
| Heavy Atoms | 31 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 20501-52-4 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)OC(=O)C)(CCl)O |
| InChIKey | WVTMFOWXYVFVDE-UHFFFAOYSA-N |
Product Overview
EUPACHLORIN ACETATE (CAS 20501-52-4), with molecular formula C22H27ClO8 and molecular weight 454.13943 g/mol. IUPAC: [7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate.
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