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SCLEROTIOTIDE_D;(2-E,4-E,6-Z)-CYCLO-[L-ALA-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
SpectraBase Compound ID 6VCmfLQS5ey
InChI InChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)25-17-12-11-14-23-20(28)16(4)24-21(29)19(15(2)3)26(5)22(17)30/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-,9-8+,13-10+/t16-,17-,19-/m0/s1
InChIKey IBQPLRWXHSRNAW-HKOHPQHRSA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H34N4O4
Exact Mass 418.258006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3A3TCUBI63r
Name SCLEROTIOTIDE_D;(2-E,4-E,6-Z)-CYCLO-[L-ALA-(N-ME-L-VAL)-(N-ALPHA-OCTA-2,4,6-TRIENOYL-L-ORN)]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34N4O4
InChI InChI=1S/C22H34N4O4/c1-6-7-8-9-10-13-18(27)25-17-12-11-14-23-20(28)16(4)24-21(29)19(15(2)3)26(5)22(17)30/h6-10,13,15-17,19H,11-12,14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-,9-8+,13-10+/t16-,17-,19-/m0/s1
InChIKey IBQPLRWXHSRNAW-HKOHPQHRSA-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 418.536 g/mol
Sample ID 35708
Solvent DMSO-D6