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1-((1-[3-Hydroxymethyl-2-(methoxy-ethoxy-methoxy)-butyl]-1,3-dithian-1-yl)-hydroxymethyl)-2-hydroxy-4-benzyloxymethyl-C
SpectraBase Compound ID Cj1NTVNHKhD
InChI InChI=1S/C28H46O7S2/c1-21(17-29)26(35-20-33-12-11-32-2)16-28(36-13-6-14-37-28)27(31)24-10-9-23(15-25(24)30)19-34-18-22-7-4-3-5-8-22/h3-5,7-8,21,23-27,29-31H,6,9-20H2,1-2H3
InChIKey IIOFYATWZGUWIJ-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C28H46O7S2
Exact Mass 558.268496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1acOxS5POg
Name 1-((1-[3-Hydroxymethyl-2-(methoxy-ethoxy-methoxy)-butyl]-1,3-dithian-1-yl)-hydroxymethyl)-2-hydroxy-4-benzyloxymethyl-C
Comments isomer 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H46O7S2
InChI InChI=1S/C28H46O7S2/c1-21(17-29)26(35-20-33-12-11-32-2)16-28(36-13-6-14-37-28)27(31)24-10-9-23(15-25(24)30)19-34-18-22-7-4-3-5-8-22/h3-5,7-8,21,23-27,29-31H,6,9-20H2,1-2H3
InChIKey IIOFYATWZGUWIJ-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference D.R. Williams, S.Y.Sit, J. Am. Chem. Soc. 106, 2949 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3