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(1R,2S,3R,4R)-bis((1R,2S,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-diphenylcyclobutane-1,2-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(1R,2S,3R,4R)-bis((1R,2S,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-diphenylcyclobutane-1,2-dicarboxylate
SpectraBase Compound ID FErWnN5BT5Q
InChI InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-/m0/s1
InChIKey SYSWFFZJNZSEIZ-OBJWOUGXSA-N
Mol Weight 658.8 g/mol
Molecular Formula C38H46N2O8
Exact Mass 658.325416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s2BCOeHwOb
Name (1R,2S,3R,4R)-bis((1R,2S,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-diphenylcyclobutane-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H46N2O8
InChI InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-/m0/s1
InChIKey SYSWFFZJNZSEIZ-OBJWOUGXSA-N
Molecular Weight 658.792 g/mol
SMILES [C@]1([H])(C(O[C@]2(C[C@@]3(CC[C@@]([C@]2(C(=O)OC)[H])([H])N3C)[H])[H])=O)[C@](C(O[C@]2(C[C@@]3(CC[C@@]([C@]2(C(=O)OC)[H])([H])N3C)[H])[H])=O)([H])[C@]([H])(c2ccccc2)[C@]1(c1ccccc1)[H]
SPLASH splash10-001i-8900301000-0752b3555b0c27f8ce95
Source of Spectrum Ira S. Lurie, et al. Journal of Chromatography, V.504, 1990, P.391-401
Synonyms bis((1R,2S,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1R,2S,3R,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylate bis((1RS,2SR,3RS,5SR)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1R,2S,3R,4R)-3,4-diphenylcyclobutane-1,2-dicarboxylate
Wiley ID 1816960