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Isopropyl 6-o-benzoyl-4-[N,N-(diethylcarboxamido)(phenylsulfonyl)methyl]-2,3,4-trideoxy-.alpha.-D-erythro-hex-2-enopyranoside

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

Isopropyl 6-o-benzoyl-4-[N,N-(diethylcarboxamido)(phenylsulfonyl)methyl]-2,3,4-trideoxy-.alpha.-D-erythro-hex-2-enopyranoside
SpectraBase Compound ID 9bacoXqHPmo
InChI InChI=1S/C28H35NO7S/c1-5-29(6-2)27(30)26(37(32,33)22-15-11-8-12-16-22)23-17-18-25(35-20(3)4)36-24(23)19-34-28(31)21-13-9-7-10-14-21/h7-18,20,23-26H,5-6,19H2,1-4H3/t23-,24+,25-,26?/m0/s1
InChIKey YGUXQXHTNMIRGN-XMBLLSNASA-N
Mol Weight 529.6 g/mol
Molecular Formula C28H35NO7S
Exact Mass 529.213424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ddlSPnKuVD
Name Isopropyl 6-o-benzoyl-4-[N,N-(diethylcarboxamido)(phenylsulfonyl)methyl]-2,3,4-trideoxy-.alpha.-D-erythro-hex-2-enopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.213423638 u
Formula C28H35NO7S
InChI InChI=1S/C28H35NO7S/c1-5-29(6-2)27(30)26(37(32,33)22-15-11-8-12-16-22)23-17-18-25(35-20(3)4)36-24(23)19-34-28(31)21-13-9-7-10-14-21/h7-18,20,23-26H,5-6,19H2,1-4H3/t23-,24+,25-,26?/m0/s1
InChIKey YGUXQXHTNMIRGN-XMBLLSNASA-N
Molecular Weight 529.648 g/mol
SMILES C(S(=O)(=O)C1=CC=CC=C1)(C(N(CC)CC)=O)[C@]1(C=C[C@](O[C@@]1(COC(=O)C=1C=CC=CC1)[H])(OC(C)C)[H])[H]