(2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one

Base Information

• Chemical Name: (2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one
• CAS No.: 170894-20-9
• Molecular Formula: C40H56 O6
• Molecular Weight: 632.869
• DSSTox Substance ID: DTXSID20420064
• Wikidata: Q82231325

Synonyms:(2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one;170894-20-9;NSC649283;Persianone;DTXSID20420064;JGQYOTZPAZMNBZ-IRCLBHCASA-N

Chemical Property of (2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one

Chemical Property:

• Vapor Pressure: 4.74E-20mmHg at 25°C
• Boiling Point: 691.1°Cat760mmHg
• PKA: 14.01±0.70(Predicted)
• Flash Point: 371.7°C
• PSA: 89.88000
• Density: 1.14g/cm³
• LogP: 8.70610
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 632.40768950
• Heavy Atom Count: 46
• Complexity: 1220

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(=O)C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)OC4C(=C(C5(CCCC(C5C4=O)(C)C)C)CCC6=COC=C6)C
• Isomeric SMILES: CC1[C@H](C(=O)C2[C@@](C1(CCC3=COC=C3)O)(CCCC2(C)C)C)O[C@@H]4C(=C([C@]5(CCCC(C5C4=O)(C)C)C)CCC6=COC=C6)C

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