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(1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-6-((E)-4-(trifluoromethyl)benzylideneamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-6-((E)-4-(trifluoromethyl)benzylideneamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
SpectraBase Compound ID DHiucPMwzh
InChI InChI=1S/C29H34F3NO2/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(34)35-5)23(20)16-24(22)33-17-19-7-10-21(11-8-19)29(30,31)32/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b33-17+/t25-,27-,28-/m1/s1
InChIKey MLZWPBJQGCAMJJ-OAMCLGINSA-N
Mol Weight 485.6 g/mol
Molecular Formula C29H34F3NO2
Exact Mass 485.254164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcsUVKcyg0F
Name (1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-6-((E)-4-(trifluoromethyl)benzylideneamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
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Formula C29H34F3NO2
InChI InChI=1S/C29H34F3NO2/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(34)35-5)23(20)16-24(22)33-17-19-7-10-21(11-8-19)29(30,31)32/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b33-17+/t25-,27-,28-/m1/s1
InChIKey MLZWPBJQGCAMJJ-OAMCLGINSA-N
Molecular Weight 485.591 g/mol
SMILES C1C[C@]([C@]2([C@@](C1)(C)c1c(CC2)cc(c(\N=C\c2ccc(cc2)C(F)(F)F)c1)C(C)C)[H])(C(OC)=O)C
SPLASH splash10-000i-0050900000-d46b7be1bc6dfdf87227
Source of Spectrum HAC-16-607-2c
Synonyms Methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-6-(((E)-4-(trifluoromethyl)benzylidene)amino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
Wiley ID 1783589