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1,1'-((2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(4-((methyl-d3)amino)butyl)tricosane-1,23-diyl)bis(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one)
SpectraBase Compound ID HtzlnaBEIqB
InChI InChI=1S/C45H87N3O4/c1-36(25-19-15-11-7-9-13-17-21-28-42-30-32-44(51)37(2)47(42)39(4)49)35-41(27-23-24-34-46-6)26-20-16-12-8-10-14-18-22-29-43-31-33-45(52)38(3)48(43)40(5)50/h36-38,41-46,51-52H,7-35H2,1-6H3/t36?,37-,38-,41?,42+,43+,44-,45-/m0/s1/i6D3
InChIKey LHBUNDUNTPSPRS-YCAWZFGYSA-N
Mol Weight 737.2 g/mol
Molecular Formula C45H842D3N3O4
Exact Mass 736.688489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9Hs2Mo4coE
Name 1,1'-((2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(4-((methyl-d3)amino)butyl)tricosane-1,23-diyl)bis(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one)
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Formula C45H84D3N3O4
InChI InChI=1S/C45H87N3O4/c1-36(25-19-15-11-7-9-13-17-21-28-42-30-32-44(51)37(2)47(42)39(4)49)35-41(27-23-24-34-46-6)26-20-16-12-8-10-14-18-22-29-43-31-33-45(52)38(3)48(43)40(5)50/h36-38,41-46,51-52H,7-35H2,1-6H3/t36?,37-,38-,41?,42+,43+,44-,45-/m0/s1/i6D3
InChIKey LHBUNDUNTPSPRS-YCAWZFGYSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 737.226 g/mol
SMILES N(CCCCC(CCCCCCCCCC[C@]1(N([C@]([C@](CC1)(O)[H])(C)[H])C(=O)C)[H])CC(CCCCCCCCCC[C@]1(N([C@]([C@](CC1)(O)[H])(C)[H])C(C)=O)[H])C)C([2D])([2D])[2D]
SPLASH splash10-08fs-9701202000-7751c2e8e7a9c3bcbc2e
Source of Spectrum H-63-2129-14_d(3)
Wiley ID 1797511