Kericembrenolide C
[(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate
Also Known As: Kericembrenolide C|[(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate|((3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca(b)furan-12-yl) acetate|Cyclotetradeca(b)furan-2(3H)-one, 4,12-bis(acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.21988 g/mol |
| LogP | 4.3605 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.21988 |
| Monoisotopic Mass | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 800.5138 |
Chemical Identifiers
| CAS Number | 104992-92-9 |
|---|---|
| SMILES | C/C/1=C/[C@@H](C/C(=C\[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C)OC(=O)C)C(=C)C(=O)O2)/C)OC(=O)C |
Product Overview
Kericembrenolide C (CAS 104992-92-9), with molecular formula C24H32O6 and molecular weight 416.21988 g/mol. IUPAC: [(3aR,4R,6Z,10Z,12R,14Z,15aR)-4-acetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate.
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