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rel-(2S,2'S,6R,6'R)-6,6'-(10,10'-(octahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1-acetyl-2-methylpiperidin-3-one)
SpectraBase Compound ID 3LP68yx9lt0
InChI InChI=1S/C44H75N3O4/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/h32,34-35,39-42H,5-31,33H2,1-4H3/t34-,35-,39?,40+,41+,42?/m0/s1
InChIKey SIRPSHMRQZWOQL-JFGUXJESSA-N
Mol Weight 710.1 g/mol
Molecular Formula C44H75N3O4
Exact Mass 709.575758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqNsoKq13E9
Name rel-(2S,2'S,6R,6'R)-6,6'-(10,10'-(octahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1-acetyl-2-methylpiperidin-3-one)
Alternate Name(s) (2S,2'S,6R,6'R)-6,6'-((1,2,3,5,8,8a-hexahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1-acetyl-2-methylpiperidin-3-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H75N3O4
InChI InChI=1S/C44H75N3O4/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/h32,34-35,39-42H,5-31,33H2,1-4H3/t34-,35-,39?,40+,41+,42?/m0/s1
InChIKey SIRPSHMRQZWOQL-JFGUXJESSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 710.101 g/mol
SMILES C1([C@@](N([C@](CCCCCCCCCCC2=CC(C3N(C2)CCC3)CCCCCCCCCC[C@]2(N([C@](C(CC2)=O)(C)[H])C(=O)C)[H])(CC1)[H])C(C)=O)(C)[H])=O
SPLASH splash10-0730-9800401300-bf888ba6925fb8dcd1e7
Source of Spectrum H-63-2128-9
Wiley ID 1797528