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

View entire compound with spectra: 1 MS (GC)

(1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-6-((E)-4-nitrobenzylideneamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
SpectraBase Compound ID KA4c8GGRlQO
InChI InChI=1S/C28H34N2O4/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(31)34-5)23(20)16-24(22)29-17-19-7-10-21(11-8-19)30(32)33/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b29-17+/t25-,27-,28-/m1/s1
InChIKey UFJKTHDFEXVLSV-GAZVUVNJSA-N
Mol Weight 462.6 g/mol
Molecular Formula C28H34N2O4
Exact Mass 462.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B43G5YqyA1w
Name (1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-6-((E)-4-nitrobenzylideneamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
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Formula C28H34N2O4
InChI InChI=1S/C28H34N2O4/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(31)34-5)23(20)16-24(22)29-17-19-7-10-21(11-8-19)30(32)33/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b29-17+/t25-,27-,28-/m1/s1
InChIKey UFJKTHDFEXVLSV-GAZVUVNJSA-N
Molecular Weight 462.590 g/mol
SMILES C1C[C@]([C@@]2(CCc3c(cc(\N=C\c4ccc(cc4)[N+](=O)[O-])c(c3)C(C)C)[C@]2(C1)C)[H])(C(OC)=O)C
SPLASH splash10-03xr-0051900000-4640af0ce2cdca5ed97d
Source of Spectrum HAC-16-607-2d
Synonyms Methyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-6-(((E)-4-nitrobenzylidene)amino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
Wiley ID 1783590