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rel-N,N'-Diacetyljuliprosopine

View entire compound with spectra: 1 MS (GC)

rel-N,N'-Diacetyljuliprosopine
SpectraBase Compound ID G14pNEESqbs
InChI InChI=1S/C44H79N3O4/c1-34-43(50)29-27-40(46(34)36(3)48)24-19-15-11-7-5-9-13-17-22-38-32-39(42-26-21-31-45(42)33-38)23-18-14-10-6-8-12-16-20-25-41-28-30-44(51)35(2)47(41)37(4)49/h32,34-35,39-44,50-51H,5-31,33H2,1-4H3/t34-,35-,39?,40+,41+,42?,43-,44-/m0/s1
InChIKey FDHCVNKUZVUMML-MPRLGYAUSA-N
Mol Weight 714.1 g/mol
Molecular Formula C44H79N3O4
Exact Mass 713.607058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxN97fujVOS
Name rel-N,N'-Diacetyljuliprosopine
Alternate Name(s) 1,1'-((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(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H79N3O4
InChI InChI=1S/C44H79N3O4/c1-34-43(50)29-27-40(46(34)36(3)48)24-19-15-11-7-5-9-13-17-22-38-32-39(42-26-21-31-45(42)33-38)23-18-14-10-6-8-12-16-20-25-41-28-30-44(51)35(2)47(41)37(4)49/h32,34-35,39-44,50-51H,5-31,33H2,1-4H3/t34-,35-,39?,40+,41+,42?,43-,44-/m0/s1
InChIKey FDHCVNKUZVUMML-MPRLGYAUSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 714.133 g/mol
SMILES O[C@@]1([C@@](N([C@](CCCCCCCCCCC2C=C(CCCCCCCCCC[C@]3(N([C@]([C@](CC3)(O)[H])(C)[H])C(=O)C)[H])CN3C2CCC3)(CC1)[H])C(=O)C)(C)[H])[H]
SPLASH splash10-03e9-5900500100-c1a623000de871843207
Source of Spectrum H-63-2127-3
Wiley ID 1797522