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N,N-Diethyl-2-o-acetyl-3,7-anhydro-4,5;6,8-di-o-isopropylidene-D-erythro-L-manno-octanamide
SpectraBase Compound ID JTnrjbm3b10
InChI InChI=1S/C20H33NO8/c1-8-21(9-2)18(23)17(25-11(3)22)14-16-15(28-20(6,7)29-16)13-12(26-14)10-24-19(4,5)27-13/h12-17H,8-10H2,1-7H3/t12-,13-,14-,15+,16-,17?/m1/s1
InChIKey YYSVIMQLRAIMQZ-DAUWQXBBSA-N
Mol Weight 415.5 g/mol
Molecular Formula C20H33NO8
Exact Mass 415.220617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGn7jSfGBWN
Name N,N-Diethyl-2-o-acetyl-3,7-anhydro-4,5;6,8-di-o-isopropylidene-D-erythro-L-manno-octanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.220617019 u
Formula C20H33NO8
InChI InChI=1S/C20H33NO8/c1-8-21(9-2)18(23)17(25-11(3)22)14-16-15(28-20(6,7)29-16)13-12(26-14)10-24-19(4,5)27-13/h12-17H,8-10H2,1-7H3/t12-,13-,14-,15+,16-,17?/m1/s1
InChIKey YYSVIMQLRAIMQZ-DAUWQXBBSA-N
Molecular Weight 415.483 g/mol
SMILES [C@]1([C@@]2([C@@](OC(O2)(C)C)([C@]2([C@](O1)(COC(C)(C)O2)[H])[H])[H])[H])(C(C(N(CC)CC)=O)OC(=O)C)[H]