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(6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]nonan-2-one

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

(6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]nonan-2-one
SpectraBase Compound ID ASasJYgoLP1
InChI InChI=1S/C21H33NO7/c1-16(23)9-8-12-19(20(29-15-26-4)17(2)28-14-25-3)22-21(24)27-13-18-10-6-5-7-11-18/h5-7,10-11,17,19-20H,8-9,12-15H2,1-4H3,(H,22,24)/t17-,19-,20+/m0/s1
InChIKey GDBTYGFGRRANKU-YSIASYRMSA-N
Mol Weight 411.5 g/mol
Molecular Formula C21H33NO7
Exact Mass 411.225702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SdATx9HCl8
Name (6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]nonan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.225702400 u
Formula C21H33NO7
InChI InChI=1S/C21H33NO7/c1-16(23)9-8-12-19(20(29-15-26-4)17(2)28-14-25-3)22-21(24)27-13-18-10-6-5-7-11-18/h5-7,10-11,17,19-20H,8-9,12-15H2,1-4H3,(H,22,24)/t17-,19-,20+/m0/s1
InChIKey GDBTYGFGRRANKU-YSIASYRMSA-N
Molecular Weight 411.495 g/mol
SMILES C(N[C@]([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCC(=O)C)[H])(=O)OCC=1C=CC=CC1