(4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Openeye Name: (4-nitrophenyl) (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid (4-nitrophenyl) ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H33NO4/c1-17(2)18-6-12-22-19(16-18)7-13-23-25(22,3)14-5-15-26(23,4)24(28)31-21-10-8-20(9-11-21)27(29)30/h8-11,16-17,23H,5-7,12-15H2,1-4H3/t23-,25-,26-/m1/s1