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[6-(2-BENZYLOXY-3-[1,3]-DITHIAN-2-YL-3-METHYL-BUTYL)-2,2-DIMETHYL-[1,3]-DIOXAN-4-YL]-ACETIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID 9JL9wbCFcDz
InChI InChI=1S/C28H44O5S2/c1-26(2,3)33-24(29)18-22-16-21(31-28(6,7)32-22)17-23(30-19-20-12-9-8-10-13-20)27(4,5)25-34-14-11-15-35-25/h8-10,12-13,21-23,25H,11,14-19H2,1-7H3/t21-,22-,23-/m1/s1
InChIKey GAPIGSSEUGYDIP-DNVJHFABSA-N
Mol Weight 524.8 g/mol
Molecular Formula C28H44O5S2
Exact Mass 524.263017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADyR0V5mcr0
Name [6-(2-BENZYLOXY-3-[1,3]-DITHIAN-2-YL-3-METHYL-BUTYL)-2,2-DIMETHYL-[1,3]-DIOXAN-4-YL]-ACETIC-ACID-TERT.-BUTYLESTER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O5S2
InChI InChI=1S/C28H44O5S2/c1-26(2,3)33-24(29)18-22-16-21(31-28(6,7)32-22)17-23(30-19-20-12-9-8-10-13-20)27(4,5)25-34-14-11-15-35-25/h8-10,12-13,21-23,25H,11,14-19H2,1-7H3/t21-,22-,23-/m1/s1
InChIKey GAPIGSSEUGYDIP-DNVJHFABSA-N
Literature Reference Author A.VAKALOPOULOS,T.F.J.LAMPE,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,3,929(2001)
Literature Reference DOI 10.1021/ol015551o
Molecular Weight 524.774 g/mol
Solvent CDCl3
Source File Reference UWLU33767