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SCLEROTIOTIDE_C;(2-E,4-E,6-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-LYS)]
SpectraBase Compound ID 1MT6a9ieEtc
InChI InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1
InChIKey WTFVTPDZPCKVCO-FPSIIMKOSA-N
Mol Weight 446.6 g/mol
Molecular Formula C24H38N4O4
Exact Mass 446.289306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyMWWgW2Mxi
Name SCLEROTIOTIDE_C;(2-E,4-E,6-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-LYS)]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H38N4O4
InChI InChI=1S/C24H38N4O4/c1-7-8-9-10-11-15-20(29)26-19-14-12-13-16-25-22(30)18(4)27(5)24(32)21(17(2)3)28(6)23(19)31/h7-11,15,17-19,21H,12-14,16H2,1-6H3,(H,25,30)(H,26,29)/b8-7+,10-9+,15-11+/t18-,19-,21-/m0/s1
InChIKey WTFVTPDZPCKVCO-FPSIIMKOSA-N
Literature Reference Author J.ZHENG,Z.XU,Y.WANG,K.HONG,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,73,1133(2010)
Literature Reference DOI 10.1021/np100198h
Molecular Weight 446.590 g/mol
Sample ID 35705
Solvent DMSO-D6