Picrasin C
[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
Also Known As: Picrasin C|Nigakilactone J|quassin|2-Hydroxy-12-methoxy-1,16-dioxopicrasan-11-yl acetate|[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate|11alpha-Acetyloxy-2alpha-hydroxy-12beta-methoxypicrasane-1,16-dione|Picrasan-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-|2alpha-Hydroxy-12beta-methoxy-1,16-dioxopicrasan-11alpha-yl acetate|Picrasane-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-|((1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo(7.7.1.02,7.013,17)heptadecan-16-yl) acetate|(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl acetate
| Molecular Formula | C23H34O7 |
|---|---|
| Molecular Weight | 422.23044 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.23044 |
| Monoisotopic Mass | 422.23044 |
| Heavy Atoms | 30 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 33804-89-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@H]([C@@H]4CC(=O)O3)C)OC)OC(=O)C)C)C)O |
| InChIKey | XTAVFXFXCFHNNF-SEMNJSAISA-N |
Product Overview
Picrasin C (CAS 33804-89-6), with molecular formula C23H34O7 and molecular weight 422.23044 g/mol. IUPAC: [(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate.
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