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rel-N,N'-Dimethyljuliprosopine
SpectraBase Compound ID BdwDywoDUET
InChI InChI=1S/C42H79N3O2/c1-34-41(46)29-27-38(43(34)3)24-19-15-11-7-5-9-13-17-22-36-32-37(40-26-21-31-45(40)33-36)23-18-14-10-6-8-12-16-20-25-39-28-30-42(47)35(2)44(39)4/h32,34-35,37-42,46-47H,5-31,33H2,1-4H3/t34-,35-,37?,38+,39+,40?,41-,42-/m0/s1
InChIKey LEURBZLECUXCOO-PJQIAKIGSA-N
Mol Weight 658.1 g/mol
Molecular Formula C42H79N3O2
Exact Mass 657.617229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5WwLW2ZVMf
Name rel-N,N'-Dimethyljuliprosopine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H79N3O2
InChI InChI=1S/C42H79N3O2/c1-34-41(46)29-27-38(43(34)3)24-19-15-11-7-5-9-13-17-22-36-32-37(40-26-21-31-45(40)33-36)23-18-14-10-6-8-12-16-20-25-39-28-30-42(47)35(2)44(39)4/h32,34-35,37-42,46-47H,5-31,33H2,1-4H3/t34-,35-,37?,38+,39+,40?,41-,42-/m0/s1
InChIKey LEURBZLECUXCOO-PJQIAKIGSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 658.113 g/mol
SMILES O[C@@]1([C@@](N([C@](CCCCCCCCCCC2C=C(CCCCCCCCCC[C@]3(N([C@]([C@](CC3)(O)[H])(C)[H])C)[H])CN3C2CCC3)(CC1)[H])C)(C)[H])[H]
SPLASH splash10-004i-1901103000-c06a6943f6f66042dc60
Source of Spectrum H-63-2127-4
Synonyms (2S,2'S,3S,3'S,6R,6'R)-6,6'-((1,2,3,5,8,8a-hexahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(1,2-dimethylpiperidin-3-ol)
Wiley ID 1797523