John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HSlnzXsAKha SpectraBase Spectrum ID=28MtjRlIAPY

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TRANS-DELTA-TOCOTRIENOLIC_ACID
SpectraBase Compound ID HSlnzXsAKha
InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
InChIKey QOFWRHWADNWKSU-LRXIOGKNSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28MtjRlIAPY
Name TRANS-DELTA-TOCOTRIENOLIC_ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
InChIKey QOFWRHWADNWKSU-LRXIOGKNSA-N
Literature Reference Author W.N.SETZER,T.J.GREEN,R.O.LAWTON,D.M.MORIARITY,R.B.BATES,S.CA LDERA,W.A.HABER
Literature Reference Citation PLANTA.MED.,61,275(1995)
Literature Reference DOI 10.1055/s-2006-958072
Molecular Weight 426.596 g/mol
Solvent CDCl3
Source File Reference UIAP698
SpectraBase Batch ID 3V1JU8n82Vm