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7-BENZYLOXY-6-[1,3]-DITHIAN-2-YL-5-HYDROXY-8-METHYL-3-OXO-NONANOIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID BQioYDndc9Y
InChI InChI=1S/C25H38O5S2/c1-24(2,3)30-22(28)16-20(27)14-19(26)15-21(29-17-18-10-7-6-8-11-18)25(4,5)23-31-12-9-13-32-23/h6-8,10-11,19,21,23,26H,9,12-17H2,1-5H3/t19-,21+/m1/s1
InChIKey LOWNSJBCDPBNQG-CTNGQTDRSA-N
Mol Weight 482.7 g/mol
Molecular Formula C25H38O5S2
Exact Mass 482.216067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADEaWaWMsML
Name 7-BENZYLOXY-6-[1,3]-DITHIAN-2-YL-5-HYDROXY-8-METHYL-3-OXO-NONANOIC-ACID-TERT.-BUTYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O5S2
InChI InChI=1S/C25H38O5S2/c1-24(2,3)30-22(28)16-20(27)14-19(26)15-21(29-17-18-10-7-6-8-11-18)25(4,5)23-31-12-9-13-32-23/h6-8,10-11,19,21,23,26H,9,12-17H2,1-5H3/t19-,21+/m1/s1
InChIKey LOWNSJBCDPBNQG-CTNGQTDRSA-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 482.694 g/mol
Solvent CDCl3
Source File Reference UWLU33765