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1-Acetamido-1,2,3-trideoxy-3-(N-methylacetamido)-dl-scyllo-inositol 4,5,6-triacetate
SpectraBase Compound ID cRfoWyZkKa
InChI InChI=1S/C17H26N2O8/c1-8(20)18-13-7-14(19(6)9(2)21)16(26-11(4)23)17(27-12(5)24)15(13)25-10(3)22/h13-17H,7H2,1-6H3,(H,18,20)
InChIKey IHJRKQWUBDJIQM-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C17H26N2O8
Exact Mass 386.168916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FL4KgQvxCKA
Name 1-Acetamido-1,2,3-trideoxy-3-(N-methylacetamido)-dl-scyllo-inositol 4,5,6-triacetate
Comments Computed using HOSE algorithm
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Exact Mass 386.168915797 u
Formula C17H26N2O8
InChI InChI=1S/C17H26N2O8/c1-8(20)18-13-7-14(19(6)9(2)21)16(26-11(4)23)17(27-12(5)24)15(13)25-10(3)22/h13-17H,7H2,1-6H3,(H,18,20)
InChIKey IHJRKQWUBDJIQM-UHFFFAOYSA-N
Molecular Weight 386.401 g/mol
SMILES C1(C(C(CC(C1OC(C)=O)N(C(C)=O)C)NC(C)=O)OC(C)=O)OC(=O)C