Epoxyshikoccin
[(4R,6S)-2-hydroxy-5,5,9-trimethyl-17-methylidene-10,16-dioxo-15-oxatetracyclo[11.2.2.01,14.04,9]heptadecan-6-yl] acetate
Also Known As: Epoxyshikoccin|(8S,9aR)-11-Hydroxy-5a,9,9-trimethyl-13-methylidene-5,12-dioxododecahydro-1aH-2,11a-ethanobenzo[5,6]cyclodeca[1,2-b]oxiren-8-yl acetate|11-Hydroxy-5a,9,9-trimethyl-13-methylidene-5,12-dioxododecahydro-1aH-2,11a-ethanobenzo[5,6]cyclodeca[1,2-b]oxiren-8-yl acetate|5H-2,6]cyclodec[1,2-b]oxirene-5,12-dione, 8-(acetyloxy)dodecahydro-11-hydroxy-5a,9,9-trimethyl-13-methylene-, [1aR-(1aR*,2S*,5aR*,8S*,9aR*,11R*,11aR*)]-
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20422 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.20422 |
| Monoisotopic Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 83159-27-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2([C@@H](C1(C)C)CC(C34C(O3)C(CCC2=O)C(=C)C4=O)O)C |
| InChIKey | ZQKZJBMQBWMNHT-IEFPHBGOSA-N |
Product Overview
Epoxyshikoccin (CAS 83159-27-7), with molecular formula C22H30O6 and molecular weight 390.20422 g/mol. IUPAC: [(4R,6S)-2-hydroxy-5,5,9-trimethyl-17-methylidene-10,16-dioxo-15-oxatetracyclo[11.2.2.01,14.04,9]heptadecan-6-yl] acetate.
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