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1,1'-((2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(1-(methyl-d3)pyrrolidin-2-yl)tricosane-1,23-diyl)bis(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one)
SpectraBase Compound ID KHcFOJQ1o0S
InChI InChI=1S/C45H85N3O4/c1-35(24-19-15-11-7-9-13-17-21-26-41-29-31-44(51)36(2)47(41)38(4)49)34-40(43-28-23-33-46(43)6)25-20-16-12-8-10-14-18-22-27-42-30-32-45(52)37(3)48(42)39(5)50/h35-37,40-45,51-52H,7-34H2,1-6H3/t35?,36-,37-,40?,41+,42+,43?,44-,45-/m0/s1/i6D3
InChIKey BSSWGSXUWFULJA-RZCQHJDNSA-N
Mol Weight 735.2 g/mol
Molecular Formula C45H822D3N3O4
Exact Mass 734.672838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81iZjoDEmwe
Name 1,1'-((2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(1-(methyl-d3)pyrrolidin-2-yl)tricosane-1,23-diyl)bis(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H82D3N3O4
InChI InChI=1S/C45H85N3O4/c1-35(24-19-15-11-7-9-13-17-21-26-41-29-31-44(51)36(2)47(41)38(4)49)34-40(43-28-23-33-46(43)6)25-20-16-12-8-10-14-18-22-27-42-30-32-45(52)37(3)48(42)39(5)50/h35-37,40-45,51-52H,7-34H2,1-6H3/t35?,36-,37-,40?,41+,42+,43?,44-,45-/m0/s1/i6D3
InChIKey BSSWGSXUWFULJA-RZCQHJDNSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 735.210 g/mol
SMILES O[C@@]1([C@@](N([C@](CCCCCCCCCCC(CC(CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(O)[H])(C)[H])C(C)=O)[H])C)C2N(CCC2)C([2D])([2D])[2D])(CC1)[H])C(=O)C)(C)[H])[H]
SPLASH splash10-000i-9100000000-009de441838fd9a80194
Source of Spectrum H-63-2128-13_d(3)
Wiley ID 1797509