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.alpha.-dl-Lyxo-hexopyranoside, hexyl 4,6-dideoxy-6-[[[1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 3-acetate 2-benzoate

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

.alpha.-dl-Lyxo-hexopyranoside, hexyl 4,6-dideoxy-6-[[[1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 3-acetate 2-benzoate
SpectraBase Compound ID DnQqZA3jcvT
InChI InChI=1S/C34H44N2O8S/c1-3-4-5-12-20-45-33-30(44-32(39)26-16-10-7-11-17-26)29(42-24(2)37)21-27(43-33)22-35-31(38)28-18-13-19-36(28)34(40)41-23-25-14-8-6-9-15-25/h6-11,14-17,27-30,33H,3-5,12-13,18-23H2,1-2H3,(H,35,38)
InChIKey JPSAAOWWQNTQIG-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C34H44N2O8S
Exact Mass 640.281838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JifFB8ZvED3
Name .alpha.-dl-Lyxo-hexopyranoside, hexyl 4,6-dideoxy-6-[[[1-[(phenylmethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 3-acetate 2-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.281837551 u
Formula C34H44N2O8S
InChI InChI=1S/C34H44N2O8S/c1-3-4-5-12-20-45-33-30(44-32(39)26-16-10-7-11-17-26)29(42-24(2)37)21-27(43-33)22-35-31(38)28-18-13-19-36(28)34(40)41-23-25-14-8-6-9-15-25/h6-11,14-17,27-30,33H,3-5,12-13,18-23H2,1-2H3,(H,35,38)
InChIKey JPSAAOWWQNTQIG-UHFFFAOYSA-N
Molecular Weight 640.792 g/mol
SMILES C1=CC=CC=C1C(=O)OC1C(OC(CC1OC(=O)C)CNC(C1N(C(OCC=2C=CC=CC2)=O)CCC1)=O)SCCCCCC