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(3R,5S)-REL-3,5-BIS-[(S)-1,4-DIOXA-8-THIASPIRO-[4.5]-DEC-6-YLHYDROXYMETHYL]-TETRAHYDRO-4H-THIOPYRAN-4-ONE
SpectraBase Compound ID BSpzCrgBROl
InChI InChI=1S/C21H32O7S3/c22-17-13(18(23)15-11-29-7-1-20(15)25-3-4-26-20)9-31-10-14(17)19(24)16-12-30-8-2-21(16)27-5-6-28-21/h13-16,18-19,23-24H,1-12H2/t13-,14+,15-,16-,18+,19+/m0/s1
InChIKey YTJQGPLLEIEQTR-HDVFIIHRSA-N
Mol Weight 492.7 g/mol
Molecular Formula C21H32O7S3
Exact Mass 492.131017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91w4uXZjU1Z
Name (3R,5S)-REL-3,5-BIS-[(S)-1,4-DIOXA-8-THIASPIRO-[4.5]-DEC-6-YLHYDROXYMETHYL]-TETRAHYDRO-4H-THIOPYRAN-4-ONE
Compound Number 21AS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O7S3
InChI InChI=1S/C21H32O7S3/c22-17-13(18(23)15-11-29-7-1-20(15)25-3-4-26-20)9-31-10-14(17)19(24)16-12-30-8-2-21(16)27-5-6-28-21/h13-16,18-19,23-24H,1-12H2/t13-,14+,15-,16-,18+,19+/m0/s1
InChIKey YTJQGPLLEIEQTR-HDVFIIHRSA-N
Literature Reference Author D.E.WARD,M.SALES,P.K.SASMAL
Literature Reference Citation J.ORG.CHEM.,69,4808(2004)
Literature Reference DOI 10.1021/jo049626o
Molecular Weight 492.661 g/mol
Solvent CDCl3
Source File Reference UWVN22031