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

View entire compound with spectra: 1 MS (GC)

(1R,4aS,10aR)-methyl 6-((E)-4-bromobenzylideneamino)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 1xMP7iGUh63
InChI InChI=1S/C28H34BrNO2/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(31)32-5)23(20)16-24(22)30-17-19-7-10-21(29)11-8-19/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b30-17+/t25-,27-,28-/m1/s1
InChIKey IDDIDZFDRQHZOI-ACUPEVCKSA-N
Mol Weight 496.5 g/mol
Molecular Formula C28H34BrNO2
Exact Mass 495.177292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HazotQfntH
Name (1R,4aS,10aR)-methyl 6-((E)-4-bromobenzylideneamino)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
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Formula C28H34BrNO2
InChI InChI=1S/C28H34BrNO2/c1-18(2)22-15-20-9-12-25-27(3,13-6-14-28(25,4)26(31)32-5)23(20)16-24(22)30-17-19-7-10-21(29)11-8-19/h7-8,10-11,15-18,25H,6,9,12-14H2,1-5H3/b30-17+/t25-,27-,28-/m1/s1
InChIKey IDDIDZFDRQHZOI-ACUPEVCKSA-N
Molecular Weight 496.489 g/mol
SMILES C1C[C@]([C@@]2(CCc3c([C@]2(C1)C)cc(\N=C\c1ccc(cc1)Br)c(c3)C(C)C)[H])(C(OC)=O)C
SPLASH splash10-0udi-0051900000-1a5790fb0b46e891df5c
Source of Spectrum HAC-16-607-2f
Synonyms Methyl (1R,4aS,10aR)-6-(((E)-4-bromobenzylidene)amino)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
Wiley ID 1783591