Isodomedin
[(2R,4R,6S,8S,9R,10S,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Isodomedin
CAS: 39388-61-9
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.21988 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.21988 |
| Monoisotopic Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 39388-61-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]([C@]2([C@@H]3CCC4[C@@H](C3([C@@H](C[C@@H]2C1(C)C)O)C(=O)C4=C)O)C)O |
| InChIKey | DHKJGTMHEVCMKJ-IVVNGPSPSA-N |
Product Overview
Isodomedin (CAS 39388-61-9), with molecular formula C22H32O6 and molecular weight 392.21988 g/mol. IUPAC: [(2R,4R,6S,8S,9R,10S,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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