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EPICOCCIN_E
SpectraBase Compound ID Kp1engnpQQv
InChI InChI=1S/C18H18N2O7S2/c21-6-1-7-11(23)8-4(6)2-17(28-7)15(26)20-9-5-3-18(20,16(27)19(8)17)29-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1
InChIKey KVJHKMONYMMFLY-KZOHNSNHSA-N
Mol Weight 438.47 g/mol
Molecular Formula C18H18N2O7S2
Exact Mass 438.055543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9e98lID1M2
Name EPICOCCIN_E
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O7S2
InChI InChI=1S/C18H18N2O7S2/c21-6-1-7-11(23)8-4(6)2-17(28-7)15(26)20-9-5-3-18(20,16(27)19(8)17)29-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1
InChIKey KVJHKMONYMMFLY-KZOHNSNHSA-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 438.470 g/mol
Sample ID 34200
Solvent DMSO-D6