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(2R,6S-8R,4'R,8'R)-7,8-DIHYDRO-6,8-DIHYDROXY-2,6,8-TRIMETHYL-7-METHYLENE-2-(4',8',12'-TRIMETHYL-TRIDECYL)-CHROMAN-5(6H)-ONE

View entire compound with spectra: 1 NMR

(2R,6S-8R,4'R,8'R)-7,8-DIHYDRO-6,8-DIHYDROXY-2,6,8-TRIMETHYL-7-METHYLENE-2-(4',8',12'-TRIMETHYL-TRIDECYL)-CHROMAN-5(6H)-ONE
SpectraBase Compound ID 8KKOPQkpBKi
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6)19-17-24-25(30)28(7,31)23(5)29(8,32)26(24)33-27/h20-22,31-32H,5,9-19H2,1-4,6-8H3/t21?,22?,27-,28+,29-/m1/s1
InChIKey LWNLGJAEMUZELO-NWTBPDGFSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeXoPjjGKZQ
Name (2R,6S-8R,4'R,8'R)-7,8-DIHYDRO-6,8-DIHYDROXY-2,6,8-TRIMETHYL-7-METHYLENE-2-(4',8',12'-TRIMETHYL-TRIDECYL)-CHROMAN-5(6H)-ONE
Compound Number 3A-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6)19-17-24-25(30)28(7,31)23(5)29(8,32)26(24)33-27/h20-22,31-32H,5,9-19H2,1-4,6-8H3/t21?,22?,27-,28+,29-/m1/s1
InChIKey LWNLGJAEMUZELO-NWTBPDGFSA-N
Literature Reference Author S.MATSUMOTO,Y.IITAKA,S.I.NAKANO,M.MATSUO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2727(1993)
Literature Reference DOI 10.1039/p19930002727
Molecular Weight 462.714 g/mol
Solvent CDCl3
Source File Reference WANG146