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3-Carbomethoxy-1,3-dimethyl-4-(tetrahydropyran-2-yloxy)-2-[3,8,12,16-tetramethyl-3(E),7(E),11(E),15-heptadecatetraenyl]piperidine

View entire compound with spectra: 1 MS (GC)

3-Carbomethoxy-1,3-dimethyl-4-(tetrahydropyran-2-yloxy)-2-[3,8,12,16-tetramethyl-3(E),7(E),11(E),15-heptadecatetraenyl]piperidine
SpectraBase Compound ID 6bWzNWQG9zb
InChI InChI=1S/C35H59NO4/c1-27(2)15-13-18-29(4)20-14-19-28(3)16-9-10-17-30(5)22-23-31-35(6,34(37)38-8)32(24-25-36(31)7)40-33-21-11-12-26-39-33/h15-17,20,31-33H,9-14,18-19,21-26H2,1-8H3/b28-16+,29-20+,30-17+/t31-,32-,33?,35-/m0/s1
InChIKey DPIPMCNBANEASL-JQFIFQBISA-N
Mol Weight 557.9 g/mol
Molecular Formula C35H59NO4
Exact Mass 557.444409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7u06EFFRDNk
Name 3-Carbomethoxy-1,3-dimethyl-4-(tetrahydropyran-2-yloxy)-2-[3,8,12,16-tetramethyl-3(E),7(E),11(E),15-heptadecatetraenyl]piperidine
Alternate Name(s) (2S,3S,4S)-1,3-Dimethyl-4-(tetrahydro-pyran-2-yloxy)-2-((3E,7E,11E)-3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-piperidine-3-carboxylic acid methyl ester Methyl 1,3-dimethyl-4-(tetrahydro-2H-pyran-2-yloxy)-2-[(3E,7E,11E)-3,8,12,16-tetramethyl-3,7,11,15-heptadecatetraenyl]-3-piperidinecarboxylate (2S,3S,4S)-1,3-dimethyl-4-(2-oxanyloxy)-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-3-piperidinecarboxylic acid methyl ester Methyl (2S,3S,4S)-1,3-dimethyl-4-tetrahydropyran-2-yloxy-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidine-3-carboxylate Methyl (2S,3S,4S)-1,3-dimethyl-4-(oxan-2-yloxy)-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidine-3-carboxylate
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Formula C35H59NO4
InChI InChI=1S/C35H59NO4/c1-27(2)15-13-18-29(4)20-14-19-28(3)16-9-10-17-30(5)22-23-31-35(6,34(37)38-8)32(24-25-36(31)7)40-33-21-11-12-26-39-33/h15-17,20,31-33H,9-14,18-19,21-26H2,1-8H3/b28-16+,29-20+,30-17+/t31-,32-,33?,35-/m0/s1
InChIKey DPIPMCNBANEASL-JQFIFQBISA-N
Molecular Weight 557.860 g/mol
SMILES [C@@]1([C@@](OC2OCCCC2)(CCN([C@]1(CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])C)[H])(C(=O)OC)C
SPLASH splash10-00dr-9770600000-efe7b9d560dd0756e033
Source of Spectrum J-57-7234-34
Wiley ID 1406510