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Methyl (4R,4aR,11bR)-4,11b-Dimethyl-2,3,4,4a,5,6,8,11b-octahydro-9-phenyl-1H-phenanthro[2,3-d]imidazole-4-carboxylate
SpectraBase Compound ID jzgXV7BReD
InChI InChI=1S/C25H28N2O2/c1-24-12-7-13-25(2,23(28)29-3)21(24)11-10-17-14-19-20(15-18(17)24)27-22(26-19)16-8-5-4-6-9-16/h4-6,8-9,14-15,21H,7,10-13H2,1-3H3,(H,26,27)/t21-,24+,25-/m1/s1
InChIKey NDUOFJYPDQFOEO-IEZKXTBUSA-N
Mol Weight 388.51 g/mol
Molecular Formula C25H28N2O2
Exact Mass 388.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PU4xpPUxTU
Name Methyl (4R,4aR,11bR)-4,11b-Dimethyl-2,3,4,4a,5,6,8,11b-octahydro-9-phenyl-1H-phenanthro[2,3-d]imidazole-4-carboxylate
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Formula C25H28N2O2
InChI InChI=1S/C25H28N2O2/c1-24-12-7-13-25(2,23(28)29-3)21(24)11-10-17-14-19-20(15-18(17)24)27-22(26-19)16-8-5-4-6-9-16/h4-6,8-9,14-15,21H,7,10-13H2,1-3H3,(H,26,27)/t21-,24+,25-/m1/s1
InChIKey NDUOFJYPDQFOEO-IEZKXTBUSA-N
Molecular Weight 388.511 g/mol
SMILES [nH]1c2c(nc1-c1ccccc1)cc1c(c2)CC[C@@]2([C@]1(CCC[C@]2(C(=O)OC)C)C)[H]
SPLASH splash10-03di-0009000000-91c0fe90a5d49fedf32c
Source of Spectrum KC-57-1798-4
Synonyms Methyl (4R,4aR,11bR)-4,11b-dimethyl-9-phenyl-2,3,4,4a,5,6,8,11b-octahydro-1H-phenanthro[2,3-d]imidazole-4-carboxylate
Wiley ID 1623098