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N,N-Diethyl-6-o-acetyl-2,3-anhydro-4,5-o-isopropylidene-7-o-trityl-D-glycero-D-altro-heptonamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N,N-Diethyl-6-o-acetyl-2,3-anhydro-4,5-o-isopropylidene-7-o-trityl-D-glycero-D-altro-heptonamide
SpectraBase Compound ID 6LXcKecBue3
InChI InChI=1S/C35H41NO7/c1-6-36(7-2)33(38)32-30(41-32)31-29(42-34(4,5)43-31)28(40-24(3)37)23-39-35(25-17-11-8-12-18-25,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h8-22,28-32H,6-7,23H2,1-5H3/t28?,29?,30-,31?,32+/m1/s1
InChIKey SVJPKMXVWAZPPQ-CWVHAHQBSA-N
Mol Weight 587.7 g/mol
Molecular Formula C35H41NO7
Exact Mass 587.288303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DYk1p10GhS
Name N,N-Diethyl-6-o-acetyl-2,3-anhydro-4,5-o-isopropylidene-7-o-trityl-D-glycero-D-altro-heptonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 587.288302657 u
Formula C35H41NO7
InChI InChI=1S/C35H41NO7/c1-6-36(7-2)33(38)32-30(41-32)31-29(42-34(4,5)43-31)28(40-24(3)37)23-39-35(25-17-11-8-12-18-25,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h8-22,28-32H,6-7,23H2,1-5H3/t28?,29?,30-,31?,32+/m1/s1
InChIKey SVJPKMXVWAZPPQ-CWVHAHQBSA-N
Molecular Weight 587.713 g/mol
SMILES [C@@]1([C@](C2C(OC(O2)(C)C)C(OC(=O)C)COC(C2=CC=CC=C2)(C=2C=CC=CC2)C2=CC=CC=C2)([H])O1)(C(N(CC)CC)=O)[H]