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6-(26-Acetoxy-27-methylene-3,7,11,15,19,23-hexamethyl-octacosa-2,6,10,14,18,22-hexen-1-yl)-2,3-dimethoxy-5-methyl-1,4-be

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6-(26-Acetoxy-27-methylene-3,7,11,15,19,23-hexamethyl-octacosa-2,6,10,14,18,22-hexen-1-yl)-2,3-dimethoxy-5-methyl-1,4-be
SpectraBase Compound ID 58DHakvlFR3
InChI InChI=1S/C46H68O6/c1-32(2)42(52-40(10)47)31-29-38(8)27-17-25-36(6)23-15-21-34(4)19-13-18-33(3)20-14-22-35(5)24-16-26-37(7)28-30-41-39(9)43(48)45(50-11)46(51-12)44(41)49/h19-20,23-24,27-28,42H,1,13-18,21-22,25-26,29-31H2,2-12H3/b33-20+,34-19+,35-24+,36-23+,37-28+,38-27+
InChIKey SMQADHNLBRUZFN-ZEUQPDMUSA-N
Mol Weight 717.0 g/mol
Molecular Formula C46H68O6
Exact Mass 716.50159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nJCQyy8JiG
Name 6-(26-Acetoxy-27-methylene-3,7,11,15,19,23-hexamethyl-octacosa-2,6,10,14,18,22-hexen-1-yl)-2,3-dimethoxy-5-methyl-1,4-be
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Formula C46H68O6
InChI InChI=1S/C46H68O6/c1-32(2)42(52-40(10)47)31-29-38(8)27-17-25-36(6)23-15-21-34(4)19-13-18-33(3)20-14-22-35(5)24-16-26-37(7)28-30-41-39(9)43(48)45(50-11)46(51-12)44(41)49/h19-20,23-24,27-28,42H,1,13-18,21-22,25-26,29-31H2,2-12H3/b33-20+,34-19+,35-24+,36-23+,37-28+,38-27+
InChIKey SMQADHNLBRUZFN-ZEUQPDMUSA-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