Nagilactone F
(1S,6R,9R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
Also Known As: NAGILACTONE F|(1S,6R,9R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione|(1S,6R,9R,12S,16R)-1,12-dimethyl-6-(propan-2-yl)-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione|(3aS)-1,2,3,3abeta,5abeta,7,10b,10cbeta-Octahydro-3a,10balpha-dimethyl-7beta-isopropyl-4H,9H-furo[2 ,3 ,4 :4,5]naphtho[2,1-c]pyran-4,9-dione|(3aS,3a(1)R,5aR,7R,10bS)-7-isopropyl-3a,10b-dimethyl-1,2,3,3a,7,10b-hexahydroisobenzofuro[7,1-fg]isochromene-4,9(3a(1)H,5aH)-dione|(3aS,5aR,7R,10bS,10cR)-3a,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,5a,7,10b,10c-octahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dione
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.16745 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.16745 |
| Monoisotopic Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 36912-00-2 |
|---|---|
| SMILES | CC(C)[C@@H]1C2=C[C@@H]3[C@@H]4[C@@](C2=CC(=O)O1)(CCC[C@@]4(C(=O)O3)C)C |
| InChIKey | DYJDPNXKUMPXEJ-DZLVSBGCSA-N |
Product Overview
Nagilactone F (CAS 36912-00-2), with molecular formula C19H24O4 and molecular weight 316.16745 g/mol. IUPAC: (1S,6R,9R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione.