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EPICOCCIN_N

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EPICOCCIN_N
SpectraBase Compound ID Bv3Q2d05QK3
InChI InChI=1S/C19H22N2O7S3/c1-29-18-4-6-8(22)2-10(24)14(25)12(6)20(18)17(28)19-5-7-9(23)3-11(30-31-19)15(26)13(7)21(19)16(18)27/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11+,12-,13-,14-,15-,18+,19+/m0/s1
InChIKey PWTRPOVBBGDOBW-KKRNIYGSSA-N
Mol Weight 486.57 g/mol
Molecular Formula C19H22N2O7S3
Exact Mass 486.058915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WUnSaFND8b
Name EPICOCCIN_N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O7S3
InChI InChI=1S/C19H22N2O7S3/c1-29-18-4-6-8(22)2-10(24)14(25)12(6)20(18)17(28)19-5-7-9(23)3-11(30-31-19)15(26)13(7)21(19)16(18)27/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11+,12-,13-,14-,15-,18+,19+/m0/s1
InChIKey PWTRPOVBBGDOBW-KKRNIYGSSA-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 486.573 g/mol
Sample ID 36448
Solvent DMSO-D6