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(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol, tetraacetate

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(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol, tetraacetate
SpectraBase Compound ID iC5ad3XMMV
InChI InChI=1S/C18H29NO8/c1-6-7-8-19-9-16(25-12(3)21)18(27-14(5)23)17(26-13(4)22)15(19)10-24-11(2)20/h15-18H,6-10H2,1-5H3/t15-,16+,17-,18-/m1/s1
InChIKey ONVHCABETRXUPT-XMTFNYHQSA-N
Mol Weight 387.43 g/mol
Molecular Formula C18H29NO8
Exact Mass 387.189317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 265ZRr18W8o
Name (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol, tetraacetate
Comments Computed using HOSE algorithm
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Exact Mass 387.189316890 u
Formula C18H29NO8
InChI InChI=1S/C18H29NO8/c1-6-7-8-19-9-16(25-12(3)21)18(27-14(5)23)17(26-13(4)22)15(19)10-24-11(2)20/h15-18H,6-10H2,1-5H3/t15-,16+,17-,18-/m1/s1
InChIKey ONVHCABETRXUPT-XMTFNYHQSA-N
Molecular Weight 387.429 g/mol
SMILES [C@@]1(N(C[C@]([C@@]([C@]1([H])OC(=O)C)([H])OC(=O)C)([H])OC(C)=O)CCCC)([H])COC(C)=O