For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

L-Threo-.alpha.-D-galacto-octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)-

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

L-Threo-.alpha.-D-galacto-octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)-
SpectraBase Compound ID 8yQgx8mOOjQ
InChI InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12-,13-,14+,15+,16?,18+,28?/m0/s1
InChIKey XSLGFIQRVCXUEU-SMMAYIFRSA-N
Mol Weight 441.0 g/mol
Molecular Formula C18H33ClN2O6S
Exact Mass 440.174786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Slx4zvkrQa
Name L-Threo-.alpha.-D-galacto-octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.174785659 u
Formula C18H33ClN2O6S
InChI InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12-,13-,14+,15+,16?,18+,28?/m0/s1
InChIKey XSLGFIQRVCXUEU-SMMAYIFRSA-N
Molecular Weight 440.983 g/mol
SMILES [C@]1(OC([C@@](NC([C@]2(N(C[C@@](C2)(CCC)[H])C)[H])=O)([C@@](Cl)(C)[H])[H])[C@@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])(S(=O)C)[H]