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#7;METHYL-(2'E)-6'HYDROPEROXY-8'-[9,10-(TRANS)-1-ALPHA-HYDROXY-2-ALPHA,5,5,9-BETA-TETRAMETHYLDECAHYDRO-NAPHTHALEN-1-BETA-YL]-2',6'-DIMETHYLOCT-2'-ENOATE
SpectraBase Compound ID DzPNV8aScKn
InChI InChI=1S/2C25H44O5/c2*1-18(21(26)29-7)10-8-14-23(5,30-28)16-17-25(27)19(2)11-12-20-22(3,4)13-9-15-24(20,25)6/h2*10,19-20,27-28H,8-9,11-17H2,1-7H3/b2*18-10+/t19-,20+,23+,24+,25-;19-,20+,23-,24+,25-/m11/s1
InChIKey GGUDTHZKPVHEKK-PYGYOIMXSA-N
Mol Weight 849.2 g/mol
Molecular Formula C50H88O10
Exact Mass 848.637749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48qmam2yOn0
Name #7;METHYL-(2'E)-6'HYDROPEROXY-8'-[9,10-(TRANS)-1-ALPHA-HYDROXY-2-ALPHA,5,5,9-BETA-TETRAMETHYLDECAHYDRO-NAPHTHALEN-1-BETA-YL]-2',6'-DIMETHYLOCT-2'-ENOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H88O10
InChI InChI=1S/2C25H44O5/c2*1-18(21(26)29-7)10-8-14-23(5,30-28)16-17-25(27)19(2)11-12-20-22(3,4)13-9-15-24(20,25)6/h2*10,19-20,27-28H,8-9,11-17H2,1-7H3/b2*18-10+/t19-,20+,23+,24+,25-;19-,20+,23-,24+,25-/m11/s1
InChIKey GGUDTHZKPVHEKK-PYGYOIMXSA-N
Literature Reference Author E.M.P.SILVA,R.J.PYE,G.D.BROWN,L.M.HARWOOD
Literature Reference Citation EUR.J.ORG.CHEM.,2012,1209(2012)
Literature Reference DOI 10.1002/ejoc.201101477
Molecular Weight 849.243 g/mol
Solvent CDCl3
Source File Reference UWLU85031