(1R,4aS,10aS)-6,7-Diacetyl-1,4alpha-Dimethyl-9-Oxo-3,4,10,10alpha-Tetrahydro-2 H-Phenanthrene-1-Carbonitrile
[CAS# 5344-93-4]

Identification

• Name: (1R,4aS,10aS)-6,7-Diacetyl-1,4alpha-Dimethyl-9-Oxo-3,4,10,10alpha-Tetrahydro-2 H-Phenanthrene-1-Carbonitrile
• Synonyms: (1R,4As,10Ar)-6,7-Diacetyl-9-Keto-1,4A-Dimethyl-3,4,10,10A-Tetrahydro-2H-Phenanthrene-1-Carbonitrile; (1R,4As,10Ar)-6,7-Diethanoyl-1,4A-Dimethyl-9-Oxo-3,4,10,10A-Tetrahydro-2H-Phenanthrene-1-Carbonitrile; 6,7-Diacetyl-1.Alpha.-Cyano-1,2,3,4,4A,9,10,10A-Octahydro-1.Beta.,4A.Beta.-Dimethyl-9-Oxophenanthrene
• Molecular Formula: C₂₁H₂₃NO₃
• Molecular Weight: 337.42
• CAS Registry Number: 5344-93-4
• SMILES: [C@]12(C3=C(C(=O)C[C@H]1[C@@](CCC2)(C#N)C)C=C(C(=C3)C(C)=O)C(=O)C)C
• InChI: 1S/C21H23NO3/c1-12(23)14-8-16-17(9-15(14)13(2)24)21(4)7-5-6-20(3,11-22)19(21)10-18(16)25/h8-9,19H,5-7,10H2,1-4H3/t19-,20-,21+/m0/s1
• InChIKey: AMGXJWRKZPRKGD-PCCBWWKXSA-N