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rel-N,N',O,O'-Tetrakis-(trideuterioacetyl)juliprosopine

View entire compound with spectra: 1 MS (GC)

rel-N,N',O,O'-Tetrakis-(trideuterioacetyl)juliprosopine
SpectraBase Compound ID 6KF0ksM8vV5
InChI InChI=1S/C48H83N3O6/c1-36-47(56-40(5)54)31-29-44(50(36)38(3)52)26-21-17-13-9-7-11-15-19-24-42-34-43(46-28-23-33-49(46)35-42)25-20-16-12-8-10-14-18-22-27-45-30-32-48(57-41(6)55)37(2)51(45)39(4)53/h34,36-37,43-48H,7-33,35H2,1-6H3/t36-,37-,43?,44+,45+,46?,47-,48-/m0/s1/i3D3,4D3,5D3,6D3
InChIKey ZXBAINJBGLFKCT-FFPOVAHWSA-N
Mol Weight 810.3 g/mol
Molecular Formula C48H712D12N3O6
Exact Mass 809.703508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsChh0CqJRs
Name rel-N,N',O,O'-Tetrakis-(trideuterioacetyl)juliprosopine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H71D12N3O6
InChI InChI=1S/C48H83N3O6/c1-36-47(56-40(5)54)31-29-44(50(36)38(3)52)26-21-17-13-9-7-11-15-19-24-42-34-43(46-28-23-33-49(46)35-42)25-20-16-12-8-10-14-18-22-27-45-30-32-48(57-41(6)55)37(2)51(45)39(4)53/h34,36-37,43-48H,7-33,35H2,1-6H3/t36-,37-,43?,44+,45+,46?,47-,48-/m0/s1/i3D3,4D3,5D3,6D3
InChIKey ZXBAINJBGLFKCT-FFPOVAHWSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 810.280 g/mol
SMILES [C@@]1([C@@](N([C@](CCCCCCCCCCC2=CC(C3N(C2)CCC3)CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(OC(C([2D])([2D])[2D])=O)[H])(C)[H])C(=O)C([2D])([2D])[2D])[H])(CC1)[H])C(=O)C([2D])([2D])[2D])(C)[H])(OC(C([2D])([2D])[2D])=O)[H]
SPLASH splash10-0a4i-2330500190-b2c08f60588b21186471
Source of Spectrum H-63-2126-2_d(12)
Synonyms (2S,2'S,3S,3'S,6R,6'R)-((1,2,3,5,8,8a-hexahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1-(acetyl-d3)-2-methylpiperidine-6,3-diyl) bis(acetate-d6)
Wiley ID 1797519