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rel-N,N',O,O'-Tetraacetyljuliprosopine
SpectraBase Compound ID DNC66e88b56
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
InChIKey ZXBAINJBGLFKCT-JITWINPCSA-N
Mol Weight 798.2 g/mol
Molecular Formula C48H83N3O6
Exact Mass 797.628187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SncheGCf0L
Name rel-N,N',O,O'-Tetraacetyljuliprosopine
Alternate Name(s) (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-2-methylpiperidine-6,3-diyl) diacetate
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Formula C48H83N3O6
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
InChIKey ZXBAINJBGLFKCT-JITWINPCSA-N
Molecular Weight 798.207 g/mol
SMILES [C@@]1([C@@](N([C@](CCCCCCCCCCC2=CC(C3N(C2)CCC3)CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(OC(C)=O)[H])(C)[H])C(=O)C)[H])(CC1)[H])C(=O)C)(C)[H])(OC(C)=O)[H]
SPLASH splash10-00dj-1300900200-f603f03704cc2ba25268
Source of Spectrum H-63-2126-2
Wiley ID 1797520