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(3R,4R,5S,9S,10S,11S)-3-S-(1,2-Dimercaptoethyl)-morelian-1,7-dione 1-ethylenedithioketal
SpectraBase Compound ID CxBuUQcJU4P
InChI InChI=1S/C19H30OS4/c1-11-12-9-13(20)17(2,3)16-14(11)19(23-7-8-24-19)10-18(4,15(12)16)22-6-5-21/h11-12,14-16,21H,5-10H2,1-4H3/t11-,12-,14+,15-,16?,18?/m1/s1
InChIKey CNVKPEWTJVHEKC-PDFBUMAUSA-N
Mol Weight 402.7 g/mol
Molecular Formula C19H30OS4
Exact Mass 402.11795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWXNKpa3ayX
Name (3R,4R,5S,9S,10S,11S)-3-S-(1,2-DIMERCAPTOETHYL)-MORELIAN-1,7-DIONE-1-ETHYLENEDITHIOKETAL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H30OS4
InChI InChI=1S/C19H30OS4/c1-11-12-9-13(20)17(2,3)16-14(11)19(23-7-8-24-19)10-18(4,15(12)16)22-6-5-21/h11-12,14-16,21H,5-10H2,1-4H3/t11-,12-,14+,15-,16?,18?/m1/s1
InChIKey CNVKPEWTJVHEKC-PDFBUMAUSA-N
Literature Reference Author C.M.CERDA-GARCIA-ROJAS,M.A.BUCIO,L.U.ROMAN,J.D.HERNANDEZ,P.J OSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,67,189(2004)
Literature Reference DOI 10.1021/np030354e
Molecular Weight 402.687 g/mol
Solvent CDCl3
Source File Reference UWKP3528