Dihydroisoalantolactone structure

Dihydroisoalantolactone

(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

Also Known As: Dihydroisoalantolactone|N-acetylmuramic acid|11,13-Dihydroisoalantolactone|(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one|Decahydro-3,8a-dimethyl-5-methylenenaphtho(2,3-b)furan-2(3H)-one (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-|Naphtho(2,3-b)furan-2(3H)-one, decahydro-3,8a-dimethyl-5-methylene-, (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-|(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one|3,8a-Dimethyl-5-methylidenedecahydronaphtho[2,3-b]furan-2(3H)-one|(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-dodecahydronaphtho[2,3-b]furan-2-one|(3S,3aR,4aS,8aR,9aR)-3,8a-Dimethyl-5-methylidenedecahydronaphtho[2,3-b]furan-2(3H)-one|(3aR,4aalpha,9aalpha)-Decahydro-3beta,8abeta-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one|(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo(f)(1)benzofuran-2-one|(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[][1]benzouran-2-one

CAS: 1856-58-2
Molecular Formula C15H22O2
Molecular Weight 234.16199 g/mol
LogP 3.3205
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 234.16199
Monoisotopic Mass 234.16199
Heavy Atoms 17
Complexity 373.1181

Chemical Identifiers

CAS Number 1856-58-2
SMILES C[C@H]1[C@H]2C[C@H]3C(=C)CCC[C@@]3(C[C@H]2OC1=O)C

Product Overview

Dihydroisoalantolactone (CAS 1856-58-2), with molecular formula C15H22O2 and molecular weight 234.16199 g/mol. IUPAC: (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-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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