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EPICOCCIN_S

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EPICOCCIN_S
SpectraBase Compound ID AEjX543Bm7L
InChI InChI=1S/C20H22N2O7S3/c1-2-29-15-14(26)11-7-5-19(30-16(15)12(7)24)17(27)22-10-6-4-20(22,18(28)21(11)19)32-31-9(13(10)25)3-8(6)23/h6-7,9-11,13-16,25-26H,2-5H2,1H3/t6-,7+,9+,10-,11-,13-,14+,15+,16+,19+,20+/m0/s1
InChIKey CTXSGNLLULNYBQ-IPDYFERDSA-N
Mol Weight 498.58 g/mol
Molecular Formula C20H22N2O7S3
Exact Mass 498.058915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12uIy3xPu5K
Name EPICOCCIN_S
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O7S3
InChI InChI=1S/C20H22N2O7S3/c1-2-29-15-14(26)11-7-5-19(30-16(15)12(7)24)17(27)22-10-6-4-20(22,18(28)21(11)19)32-31-9(13(10)25)3-8(6)23/h6-7,9-11,13-16,25-26H,2-5H2,1H3/t6-,7+,9+,10-,11-,13-,14+,15+,16+,19+,20+/m0/s1
InChIKey CTXSGNLLULNYBQ-IPDYFERDSA-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 498.584 g/mol
Sample ID 36453
Solvent DMSO-D6