EUPATOCUNOXIN
(9-acetyloxy-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl) 2,3-dimethyloxirane-2-carboxylate
Also Known As: EUPATOCUNOXIN|NCI60_000783|(9-acetyloxy-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl) 2,3-dimethyloxirane-2-carboxylate|9-(acetyloxy)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2,3-dimethyloxirane-2-carboxylate
| Molecular Formula | C22H28O8 |
|---|---|
| Molecular Weight | 420.1784 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.1784 |
| Monoisotopic Mass | 420.1784 |
| Heavy Atoms | 30 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 39204-36-9 |
|---|---|
| SMILES | CC1C(O1)(C)C(=O)OC2C(C3C(C=C(C(CC=C2C)OC(=O)C)C)OC(=O)C3=C)O |
| InChIKey | UZTYOOVAPGOQDZ-UHFFFAOYSA-N |
Product Overview
EUPATOCUNOXIN (CAS 39204-36-9), with molecular formula C22H28O8 and molecular weight 420.1784 g/mol. IUPAC: (9-acetyloxy-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl) 2,3-dimethyloxirane-2-carboxylate.
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