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SCLEROTIOTIDE_F;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-(ALPHA)-6-OXOHEXA-2,4-DIENOYL-L-ORN)]
SpectraBase Compound ID VUKnRqmxOp
InChI InChI=1S/C21H32N4O5/c1-14(2)18-21(30)24(4)15(3)19(28)22-12-9-10-16(20(29)25(18)5)23-17(27)11-7-6-8-13-26/h6-8,11,13-16,18H,9-10,12H2,1-5H3,(H,22,28)(H,23,27)/b8-6+,11-7+/t15-,16-,18-/m0/s1
InChIKey KPPYRCDQUDIYQD-CAYKZORVSA-N
Mol Weight 420.5 g/mol
Molecular Formula C21H32N4O5
Exact Mass 420.23727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6VFFWjZ2gX
Name SCLEROTIOTIDE_F;(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-(ALPHA)-6-OXOHEXA-2,4-DIENOYL-L-ORN)]
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32N4O5
InChI InChI=1S/C21H32N4O5/c1-14(2)18-21(30)24(4)15(3)19(28)22-12-9-10-16(20(29)25(18)5)23-17(27)11-7-6-8-13-26/h6-8,11,13-16,18H,9-10,12H2,1-5H3,(H,22,28)(H,23,27)/b8-6+,11-7+/t15-,16-,18-/m0/s1
InChIKey KPPYRCDQUDIYQD-CAYKZORVSA-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 420.509 g/mol
Sample ID 35710
Solvent DMSO-D6