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SCLEROTIOTIDE_B;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
SpectraBase Compound ID JqXlZ5vlDvx
InChI InChI=1S/C21H34N4O4/c1-7-8-9-12-17(26)23-16-11-10-13-22-19(27)15(4)24(5)21(29)18(14(2)3)25(6)20(16)28/h7-9,12,14-16,18H,10-11,13H2,1-6H3,(H,22,27)(H,23,26)/b8-7+,12-9+/t15-,16-,18-/m0/s1
InChIKey YDMIIJJQQVACFZ-DHHXFONYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C21H34N4O4
Exact Mass 406.258006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oLJeaFWpFZ
Name SCLEROTIOTIDE_B;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34N4O4
InChI InChI=1S/C21H34N4O4/c1-7-8-9-12-17(26)23-16-11-10-13-22-19(27)15(4)24(5)21(29)18(14(2)3)25(6)20(16)28/h7-9,12,14-16,18H,10-11,13H2,1-6H3,(H,22,27)(H,23,26)/b8-7+,12-9+/t15-,16-,18-/m0/s1
InChIKey YDMIIJJQQVACFZ-DHHXFONYSA-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 406.525 g/mol
Sample ID 35707
Solvent DMSO-D6