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SCLEROTIOTIDE_E;(2-E,4-E,6-Z)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
SpectraBase Compound ID KHbtyKaVq7Y
InChI InChI=1S/C23H36N4O4/c1-7-8-9-10-11-14-19(28)25-18-13-12-15-24-21(29)17(4)26(5)23(31)20(16(2)3)27(6)22(18)30/h7-11,14,16-18,20H,12-13,15H2,1-6H3,(H,24,29)(H,25,28)/b8-7-,10-9+,14-11+/t17-,18-,20-/m0/s1
InChIKey JBIZFCHJQXSVKL-SOCMEVESSA-N
Mol Weight 432.6 g/mol
Molecular Formula C23H36N4O4
Exact Mass 432.273656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KG3j4aTHiPb
Name SCLEROTIOTIDE_E;(2-E,4-E,6-Z)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36N4O4
InChI InChI=1S/C23H36N4O4/c1-7-8-9-10-11-14-19(28)25-18-13-12-15-24-21(29)17(4)26(5)23(31)20(16(2)3)27(6)22(18)30/h7-11,14,16-18,20H,12-13,15H2,1-6H3,(H,24,29)(H,25,28)/b8-7-,10-9+,14-11+/t17-,18-,20-/m0/s1
InChIKey JBIZFCHJQXSVKL-SOCMEVESSA-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 432.563 g/mol
Sample ID 35709
Solvent DMSO-D6