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(4R,5S,9S,10S,11S)-Morel-2-en-1,7-dione 1,7-bis(ethylenedithioketal)
SpectraBase Compound ID DuPgVDwoYDy
InChI InChI=1S/C19H28S4/c1-11-9-18(20-5-6-21-18)15-12(2)13-10-19(22-7-8-23-19)17(3,4)16(15)14(11)13/h9,12-16H,5-8,10H2,1-4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey ZACPJVTXCVXKCO-LJIZCISZSA-N
Mol Weight 384.7 g/mol
Molecular Formula C19H28S4
Exact Mass 384.107386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvuEKJAQU7w
Name (4R,5S,9S,10S,11S)-MOREL-2-EN-1,7-DIONE-1,7-BIS-(ETHYLENEDITHIOKETAL)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28S4
InChI InChI=1S/C19H28S4/c1-11-9-18(20-5-6-21-18)15-12(2)13-10-19(22-7-8-23-19)17(3,4)16(15)14(11)13/h9,12-16H,5-8,10H2,1-4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey ZACPJVTXCVXKCO-LJIZCISZSA-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 384.671 g/mol
Solvent CDCl3
Source File Reference UWKP3525