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7S-(4-Methoxy-benzyloxy)-2,6R-dimethyl-6-benzyloxy-2(E)-nonenoic acid, ethyl ester
SpectraBase Compound ID FlAE1YEDhDe
InChI InChI=1S/C28H38O5/c1-6-26(32-20-24-15-17-25(30-5)18-16-24)28(4,33-21-23-13-9-8-10-14-23)19-11-12-22(3)27(29)31-7-2/h8-10,12-18,26H,6-7,11,19-21H2,1-5H3/b22-12+
InChIKey NKSXOVWINFDBNA-WSDLNYQXSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4c5F1lWhWW
Name 7S-(4-Methoxy-benzyloxy)-2,6R-dimethyl-6-benzyloxy-2(E)-nonenoic acid, ethyl ester
Comments reassigned
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Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-6-26(32-20-24-15-17-25(30-5)18-16-24)28(4,33-21-23-13-9-8-10-14-23)19-11-12-22(3)27(29)31-7-2/h8-10,12-18,26H,6-7,11,19-21H2,1-5H3/b22-12+
InChIKey NKSXOVWINFDBNA-WSDLNYQXSA-N
Literature Reference D.A. Evans, S.L. Bender, J. Morris, J. Am. Chem. Soc. 110, 2506 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3