Aspterric acid structure

Aspterric acid

(5S,8R,9R)-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid

Also Known As: Aspterric acid|2-(4-methylphenyl)sulfonyl-5-nitrofuran|(5S,8R,9R)-4-Propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid|(5S,8R,9R)-4-(propan-2-ylidene)-10-oxatricyclo[7.2.1.0?,?]dodecane-8-carboperoxoic acid|(5S,8R,9R)-4-isopropylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid|(5S,8R,9R)-4-(propan-2-ylidene)-10-oxatricyclo[7.2.1.0(1),?]dodecane-8-carboperoxoic acid|1H-3,9a-Methanocyclopent(c)oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(1-methylethylidene)-, (3R,4R,6aS,9aS)-|1H-3,9a-Methanocyclopent(c)oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(1-methylethylidene)-, (3R-(3alpha,4alpha,6aalpha,9aalpha))-

CAS: 67309-95-9
Molecular Formula C15H22O4
Molecular Weight 266.1518 g/mol
LogP 2.2
Topological Polar Surface Area 55.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 266.1518
Monoisotopic Mass 266.1518
Heavy Atoms 19
Complexity 424.0

Chemical Identifiers

CAS Number 67309-95-9
SMILES CC(=C1CCC23[C@H]1CC[C@H]([C@@H](C2)OC3)C(=O)OO)C
InChIKey AMVWWAIZPPESMM-WORDMNGFSA-N

Product Overview

Aspterric acid (CAS 67309-95-9), with molecular formula C15H22O4 and molecular weight 266.1518 g/mol. IUPAC: (5S,8R,9R)-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboperoxoic acid.

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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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