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EPICOCCIN_M
SpectraBase Compound ID LAASdqUTkVl
InChI InChI=1S/C19H22N2O6S3/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-30-19)15(25)14(8)21(19)16(18)26/h7-8,10,12-15,23,25H,2-6H2,1H3/t7-,8-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey IZVLOMZFKBEMKA-FVCPCXLRSA-N
Mol Weight 470.57 g/mol
Molecular Formula C19H22N2O6S3
Exact Mass 470.064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8J9PwJTK8G4
Name EPICOCCIN_M
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O6S3
InChI InChI=1S/C19H22N2O6S3/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-30-19)15(25)14(8)21(19)16(18)26/h7-8,10,12-15,23,25H,2-6H2,1H3/t7-,8-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKey IZVLOMZFKBEMKA-FVCPCXLRSA-N
Literature Reference Author J.M.WANG,G.Z.DING,L.FANG,J.G.DAI,S.S.YU,Y.H.WANG,X.G.CHEN,S. G.MA,J.QU,S.XU,D.DU
Literature Reference Citation J.NAT.PROD.,73,1240(2010)
Literature Reference DOI 10.1021/np1000895
Molecular Weight 470.573 g/mol
Sample ID 36447
Solvent DMSO-D6