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3,3'-O-[1,18-OCTADECAN-(8,11-METHYLIDENE)-METHYLENE]-BIS-[2-O-[(R)-3,7-DIMETHYLOCTYL]-SN-GLYCEROL]
SpectraBase Compound ID DNlJtrCJzTu
InChI InChI=1S/C45H88O6/c1-38-17-15-19-40(3)27-31-50-44(34-46)36-48-29-13-9-5-7-11-21-42-25-26-43(33-42)22-12-8-6-10-14-30-49-37-45(35-47)51-32-28-41(4)20-16-18-39(2)24-23-38/h38-47H,5-37H2,1-4H3/t38?,39?,40-,41+,42?,43?,44-,45-/m1/s1
InChIKey CZEFYRSRTBCLIV-NCTGBNQJSA-N
Mol Weight 725.2 g/mol
Molecular Formula C45H88O6
Exact Mass 724.658091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Am35DhZbDow
Name 3,3'-O-[1,18-OCTADECAN-(8,11-METHYLIDENE)-METHYLENE]-BIS-[2-O-[(R)-3,7-DIMETHYLOCTYL]-SN-GLYCEROL]
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H88O6
InChI InChI=1S/C45H88O6/c1-38-17-15-19-40(3)27-31-50-44(34-46)36-48-29-13-9-5-7-11-21-42-25-26-43(33-42)22-12-8-6-10-14-30-49-37-45(35-47)51-32-28-41(4)20-16-18-39(2)24-23-38/h38-47H,5-37H2,1-4H3/t38?,39?,40-,41+,42?,43?,44-,45-/m1/s1
InChIKey CZEFYRSRTBCLIV-NCTGBNQJSA-N
Literature Reference Author G.LECOLLINET,R.AUZELY-VELTY,M.DANEL,T.BENVEGNU,G.MACKENZIE,J .W.GOODBY,D.PLUSQUEL
Literature Reference Citation J.ORG.CHEM.,64,3139(1999)
Literature Reference DOI 10.1021/jo9822028
Molecular Weight 725.190 g/mol
Sample ID 58640
Solvent CDCl3