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EPICOCCIN_R
SpectraBase Compound ID 3J3Glef7cnp
InChI InChI=1S/C18H18N2O6S3/c21-7-1-10-14(24)12-5(7)3-18(29-28-10)16(26)19-11-6-4-17(19,15(25)20(12)18)27-9(13(6)23)2-8(11)22/h5-6,8-12,14,22,24H,1-4H2/t5-,6+,8-,9-,10+,11-,12-,14-,17+,18+/m0/s1
InChIKey BFALVCZSGSJFEA-HTJQZTFCSA-N
Mol Weight 454.53 g/mol
Molecular Formula C18H18N2O6S3
Exact Mass 454.0327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0Gp7volfe
Name EPICOCCIN_R
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O6S3
InChI InChI=1S/C18H18N2O6S3/c21-7-1-10-14(24)12-5(7)3-18(29-28-10)16(26)19-11-6-4-17(19,15(25)20(12)18)27-9(13(6)23)2-8(11)22/h5-6,8-12,14,22,24H,1-4H2/t5-,6+,8-,9-,10+,11-,12-,14-,17+,18+/m0/s1
InChIKey BFALVCZSGSJFEA-HTJQZTFCSA-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 454.531 g/mol
Sample ID 36452
Solvent DMSO-D6