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EPICOCCIN_F
SpectraBase Compound ID KCRdJeTUw8K
InChI InChI=1S/C18H20N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-7,9-14,21,23-24H,1-4H2/t5-,6-,7+,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1
InChIKey HDEHHRCCINCEED-JTOCCBCSSA-N
Mol Weight 456.55 g/mol
Molecular Formula C18H20N2O6S3
Exact Mass 456.04835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SIamxVWvaX
Name EPICOCCIN_F
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O6S3
InChI InChI=1S/C18H20N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-7,9-14,21,23-24H,1-4H2/t5-,6-,7+,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1
InChIKey HDEHHRCCINCEED-JTOCCBCSSA-N
Literature Reference Author H.GUO,B.SUN,H.GAO,X.CHEN,S.LIU,X.YAO,X.LIU,Y.CHE
Literature Reference Citation J.NAT.PROD.,72,2115(2009)
Literature Reference DOI 10.1021/np900654a
Molecular Weight 456.547 g/mol
Sample ID 34201
Solvent DMSO-D6