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rel-N,N',O,O'- Tetraacetyl-6'''',7''''-Dihydrojuliprosopine
SpectraBase Compound ID FwT9afNCUJC
InChI InChI=1S/C48H85N3O6/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/h36-37,42-48H,7-35H2,1-6H3/t36-,37-,42?,43?,44+,45+,46?,47-,48-/m0/s1
InChIKey DFKVRULQKZNIQA-AZPBXOHDSA-N
Mol Weight 800.2 g/mol
Molecular Formula C48H85N3O6
Exact Mass 799.643837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zoIU80K3SH
Name rel-N,N',O,O'- Tetraacetyl-6'''',7''''-Dihydrojuliprosopine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H85N3O6
InChI InChI=1S/C48H85N3O6/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/h36-37,42-48H,7-35H2,1-6H3/t36-,37-,42?,43?,44+,45+,46?,47-,48-/m0/s1
InChIKey DFKVRULQKZNIQA-AZPBXOHDSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 800.223 g/mol
SMILES [C@@]1([C@@](N([C@](CCCCCCCCCCC2CC(C3N(C2)CCC3)CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(OC(C)=O)[H])(C)[H])C(=O)C)[H])(CC1)[H])C(C)=O)(C)[H])(OC(C)=O)[H]
SPLASH splash10-06rt-6800902400-019d281ad45cb4ec2c32
Source of Spectrum H-63-2127-6
Synonyms (2S,2'S,3S,3'S,6R,6'R)-((octahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1-acetyl-2-methylpiperidine-6,3-diyl) diacetate
Wiley ID 1797525