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6-(26,27-Dihydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-2,6,10,14,18,22-hexen-1-yl)-2,3-dimethoxy-5-methyl-1,4-benzoq
SpectraBase Compound ID 8Voi7pe6HRJ
InChI InChI=1S/C44H68O6/c1-31(17-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-39(45)44(8,9)48)19-13-21-33(3)23-15-25-35(5)27-29-38-37(7)40(46)42(49-10)43(50-11)41(38)47/h18-19,22-23,26-27,39,45,48H,12-17,20-21,24-25,28-30H2,1-11H3/b31-19+,32-18+,33-23+,34-22+,35-27+,36-26+
InChIKey MLJJNAQTPLBHBR-KMMVAIAFSA-N
Mol Weight 693.0 g/mol
Molecular Formula C44H68O6
Exact Mass 692.50159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJydgfB6XIf
Name 6-(26,27-Dihydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-2,6,10,14,18,22-hexen-1-yl)-2,3-dimethoxy-5-methyl-1,4-benzoq
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H68O6
InChI InChI=1S/C44H68O6/c1-31(17-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-39(45)44(8,9)48)19-13-21-33(3)23-15-25-35(5)27-29-38-37(7)40(46)42(49-10)43(50-11)41(38)47/h18-19,22-23,26-27,39,45,48H,12-17,20-21,24-25,28-30H2,1-11H3/b31-19+,32-18+,33-23+,34-22+,35-27+,36-26+
InChIKey MLJJNAQTPLBHBR-KMMVAIAFSA-N
Instrument Name Varian XL-100
Literature Reference S. Terao, K. Kato, M. Shiraishi, J. Chem. Soc. Perkin I 1101 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3