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(+/-)-DEAMINODEOXYCOLCHINOL-7-OL-9-METHYLTHIOETHER
SpectraBase Compound ID 3Eojs3wD18n
InChI InChI=1S/C19H22O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10,15,20H,5,8H2,1-4H3
InChIKey HIWNZGHQROQUOB-UHFFFAOYSA-N
Mol Weight 346.44 g/mol
Molecular Formula C19H22O4S
Exact Mass 346.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqsBmUMcRft
Name (+/-)-DEAMINODEOXYCOLCHINOL-7-OL-9-METHYLTHIOETHER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O4S
InChI InChI=1S/C19H22O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10,15,20H,5,8H2,1-4H3
InChIKey HIWNZGHQROQUOB-UHFFFAOYSA-N
Literature Reference Author Q.SHI,K.CHEN,A.BROSSI,P.VERDIER-PINARD,E.HAMEL,A.T.M.PHAIL,A .TROPSHA,K.H.LEE
Literature Reference Citation J.ORG.CHEM.,63,4018(1998)
Literature Reference DOI 10.1021/jo980073p
Molecular Weight 346.441 g/mol
Sample ID 28104
Solvent CDCl3