Isoshinanolone structure

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

CAS: 39626-91-0
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.

Pharmaceutical Intermediates (4 patents)

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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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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