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(S,R,R)/(R,R,R)-3,4-DEHYDRO-DELTA-TOCOPHEROL;6-HYDROXY-2,8-DIMETHYL-2-(4,8,12-TRIMETHYLDECYL)-2H-CHROMEN
SpectraBase Compound ID 4pGdOICbXQS
InChI InChI=1S/2C27H44O2/c2*1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h2*15,17-22,28H,7-14,16H2,1-6H3/t21-,22-,27+;21-,22-,27-/m11/s1
InChIKey PQNTUPIBUIASHM-IHULZRRKSA-N
Mol Weight 801.3 g/mol
Molecular Formula C54H88O4
Exact Mass 800.668261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID luKcHrk8fU
Name (S,R,R)/(R,R,R)-3,4-DEHYDRO-DELTA-TOCOPHEROL;6-HYDROXY-2,8-DIMETHYL-2-(4,8,12-TRIMETHYLDECYL)-2H-CHROMEN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O4
InChI InChI=1S/2C27H44O2/c2*1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h2*15,17-22,28H,7-14,16H2,1-6H3/t21-,22-,27+;21-,22-,27-/m11/s1
InChIKey PQNTUPIBUIASHM-IHULZRRKSA-N
Literature Reference Author B.BREM,C.SEGER,T.PACHER,M.HARTL,F.HADACEK,O.HOFER,S.VAJRODAY A,H.GREGER
Literature Reference Citation PHYTOCHEM.,65,2719(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.08.023
Molecular Weight 801.290 g/mol
Solvent ACETONE-D6
Source File Reference UWVN30034