Pederone structure

Pederone

N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide

Also Known As: Pederone|Pederon|9-(4-nitro-phenyl)-9H-carbazole|2H-Pyran-2-acetamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-5,5-dimethyl-4-oxo-2H-pyran-2-yl]methoxymethyl]tetrahydro-.alpha.-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-|2H-Pyran-2-glycolamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-5,5-dimethyl-3-oxo-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-|N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide|2H-Pyran-2-acetamide,N-[[6-(2,3-dimethoxypropyl)tetrahydro-5,5-dimethyl-4-oxo-2H-pyran-2-yl]methoxymethyl]tetrahydro-a-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-|N-[[6-(2,3-Dimethoxypropyl)tetrahydro-5,5-dimethyl-4-oxo-2H-pyran-2-yl](methoxy)methyl]tetrahydro-alpha-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-acetamide|N-{[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl](methoxy)methyl}-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide

CAS: 16982-79-9
Molecular Formula C25H43NO9
Molecular Weight 501.2938 g/mol
LogP 0.6
Topological Polar Surface Area 122.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 11
Exact Mass 501.2938
Monoisotopic Mass 501.2938
Heavy Atoms 35
Complexity 757.0

Chemical Identifiers

CAS Number 16982-79-9
SMILES CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(=O)C(C(O2)CC(COC)OC)(C)C)OC)O)OC)C
InChIKey XWFDVJNZERXRSB-UHFFFAOYSA-N

Product Overview

Pederone (CAS 16982-79-9), with molecular formula C25H43NO9 and molecular weight 501.2938 g/mol. IUPAC: N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide.

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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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