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EGONOL-9-(Z),12-(Z)-LINOLATE

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EGONOL-9-(Z),12-(Z)-LINOLATE
SpectraBase Compound ID AiRcXGbreKT
InChI InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-
InChIKey NHCDDUNWYVJRPS-NQLNTKRDSA-N
Mol Weight 588.8 g/mol
Molecular Formula C37H48O6
Exact Mass 588.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFtK4cvBl4X
Name EGONOL-9-(Z),12-(Z)-LINOLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48O6
InChI InChI=1S/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-
InChIKey NHCDDUNWYVJRPS-NQLNTKRDSA-N
Literature Reference Author J.LIU,V.DUMONTET,A.L.SIMONIN,B.I.IORGA,V.GUERINEAU,M.LITAUDO N,V.H.NGUYEN,F.GUERI
Literature Reference Citation J.NAT.PROD.,74,2081(2011)
Literature Reference DOI 10.1021/np200308j
Molecular Weight 588.785 g/mol
Sample ID 39323
Solvent CDCl3