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SCLEROTIOTIDE_G;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-7-HYDROXY-6-OXOOCTA-2,4-DIENOYL-L-ORN)]
SpectraBase Compound ID KX6RBR2zcyC
InChI InChI=1S/C23H36N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-17,20,28H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,20-/m0/s1
InChIKey PECOIDLLRXSGKX-KFVQFUFLSA-N
Mol Weight 464.6 g/mol
Molecular Formula C23H36N4O6
Exact Mass 464.263485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQLH1AmRP4K
Name SCLEROTIOTIDE_G;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-7-HYDROXY-6-OXOOCTA-2,4-DIENOYL-L-ORN)]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36N4O6
InChI InChI=1S/C23H36N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-17,20,28H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,20-/m0/s1
InChIKey PECOIDLLRXSGKX-KFVQFUFLSA-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 464.562 g/mol
Sample ID 35711
Solvent DMSO-D6