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endo-Methyl (2R,3R,3aS/R)-2-[3-Benzyloxy-[1,1-[(1S,5S,6S)-spiro[4.4]nonylene-1,6-dioxy]propylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID KLrW79Sis2Y
InChI InChI=1S/C28H39NO6/c1-31-26(30)24-21-11-5-6-17-29(21)35-25(24)28(16-18-32-19-20-9-3-2-4-10-20)33-22-12-7-14-27(22)15-8-13-23(27)34-28/h2-4,9-10,21-25H,5-8,11-19H2,1H3/t21-,22+,23?,24+,25+,27+,28?/m1/s1
InChIKey MKNIQZJQMFOVNW-LZILBWKBSA-N
Mol Weight 485.6 g/mol
Molecular Formula C28H39NO6
Exact Mass 485.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVTH7L2saHB
Name endo-Methyl (2R,3R,3aS/R)-2-[3-Benzyloxy-[1,1-[(1S,5S,6S)-spiro[4.4]nonylene-1,6-dioxy]propylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
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Formula C28H39NO6
InChI InChI=1S/C28H39NO6/c1-31-26(30)24-21-11-5-6-17-29(21)35-25(24)28(16-18-32-19-20-9-3-2-4-10-20)33-22-12-7-14-27(22)15-8-13-23(27)34-28/h2-4,9-10,21-25H,5-8,11-19H2,1H3/t21-,22+,23?,24+,25+,27+,28?/m1/s1
InChIKey MKNIQZJQMFOVNW-LZILBWKBSA-N
Molecular Weight 485.621 g/mol
SMILES [C@]1(C2(O[C@]3(CCC[C@]33C(O2)CCC3)[H])CCOCc2ccccc2)([C@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-00di-3900000000-85e9ba57fcd2d48e87e2
Source of Spectrum KD-12-1755-27
Wiley ID 1634518