1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate
[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate
Also Known As: Holacanthone|KST-1A8398|1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate|(1|A,4|A,5xi,11|A,12|A,14|A,15|A)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate|(5xi)-1beta,11beta,12alpha-Trihydroxy-2,16-dioxo-4beta,14alpha-11,20-epoxypicrasan-15beta-yl acetate|[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate
| Molecular Formula | C22H30O9 |
|---|---|
| Molecular Weight | 438.189 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.189 |
| Monoisotopic Mass | 438.189 |
| Heavy Atoms | 31 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 82154-75-4 |
|---|---|
| SMILES | C[C@H]1CC(=O)[C@H]([C@]2(C1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@H]([C@H]4[C@H](C(=O)O3)OC(=O)C)C)O)(OC5)O)C)O |
| InChIKey | KIZWNNDWEPUGBU-OBWYKSPLSA-N |
Product Overview
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate (CAS 82154-75-4), with molecular formula C22H30O9 and molecular weight 438.189 g/mol. IUPAC: [(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate.
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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