Nigakilacton L
(1S,2S,6R,7S,8R,12R,14S,15S,19S,20R)-7-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-ene-10,18-dione
Also Known As: Nigakilacton L|Nigakilactone L|Nigakilactone-L|hydroxy-methoxy-tetramethyl-[?]dione|13-Hydroxy-2-methoxy-11alpha,12beta-[methylenebis(oxy)]picras-2-ene-1,16-dione|(1S,2S,6R,7S,8R,12R,14S,15S,19S,20R)-7-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-ene-10,18-dione|(3aR,4S,4aR,7aR,7bR,8aS,9S,12aS,12bS,12cS)-4-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro-2H-[1,3]dioxolo[3,4]phenanthro[10,1-bc]pyran-6,12(4H,5H)-dione|4-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro-2H-[1,3]dioxolo[3,4]phenanthro[10,1-bc]pyran-6,12(4H,5H)-dione|Picras-2-ene-1,16-dione, 13-hydroxy-2-methoxy-11,12-(methylenebis(oxy))-, (11alpha,12beta)-|Picras-2-ene-1,16-dione, 13-hydroxy-2-methoxy-11,12-[methylenebis(oxy)]-, (11.alpha.,12.beta.)-
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.19916 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.19916 |
| Monoisotopic Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 35334-40-8 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@H]5[C@H]([C@@]([C@@H]4CC(=O)O3)(C)O)OCO5)C)C)OC |
| InChIKey | DUAQCTANPNATFA-KOEFXMDHSA-N |
Product Overview
Nigakilacton L (CAS 35334-40-8), with molecular formula C22H30O7 and molecular weight 406.19916 g/mol. IUPAC: (1S,2S,6R,7S,8R,12R,14S,15S,19S,20R)-7-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-ene-10,18-dione.
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