Isoshinanolone
(3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Isoshinanolone|Shinanolone|cis-Isoshinanolon|(+)-Cis-Isoshinanolone|1-epineo-isoshinanolone|HY-N8914|TN4330|(3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one|(3R,4R)-4,8-dihydroxy-3-methyl-tetralin-1-one|(3R,4R)-4,8-dihydroxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-one|(3R,4R)-3,4-Dihydro-3-methyl-4,8-dihydroxynaphthalen-1(2H)-one|(3R,4R)-3,4-Dihydro-4,8-dihydroxy-3-methylnaphthalen-1(2H)-one|(3R,4R)-3-Methyl-4,8-dihydroxy-3,4-dihydronaphthalen-1(2H)-one|(3S,4S)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one|(3R)-3beta-Methyl-4beta,8-dihydroxy-1,2,3,4-tetrahydronaphthalene-1-one
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.07864 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07864 |
| Monoisotopic Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 39626-91-0 |
|---|---|
| SMILES | C[C@@H]1CC(=O)C2=C([C@@H]1O)C=CC=C2O |
| InChIKey | YUPNHTWYVBHLMG-KSBSHMNSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoshinanolone (CAS 39626-91-0), with molecular formula C11H12O3 and molecular weight 192.07864 g/mol. IUPAC: (3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one.
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