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WOZILHPQTKSINY-SJRFBOFHSA-N
SpectraBase Compound ID 17MYpaVcQle
InChI InChI=1S/C27H38O5/c1-25(2)30-16-20(17-31-25)19-10-13-27(15-19)21-11-12-26(27,3)22(14-21)32-23(24(28)29-4)18-8-6-5-7-9-18/h5-9,19-23H,10-17H2,1-4H3/t19?,21-,22-,23+,26+,27-/m0/s1
InChIKey WOZILHPQTKSINY-SJRFBOFHSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJEmJIxcsF4
Name WOZILHPQTKSINY-SJRFBOFHSA-N
Compound Number (S)-MPA-ESTER-#1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-25(2)30-16-20(17-31-25)19-10-13-27(15-19)21-11-12-26(27,3)22(14-21)32-23(24(28)29-4)18-8-6-5-7-9-18/h5-9,19-23H,10-17H2,1-4H3/t19?,21-,22-,23+,26+,27-/m0/s1
InChIKey WOZILHPQTKSINY-SJRFBOFHSA-N
Literature Reference Author Y.MATSUO,H.SAKAGAMI,Y.MIMAKI
Literature Reference Citation CHEM.PHARM.BULL.,62,1192(2014)
Literature Reference DOI 10.1248/cpb.c14-00457
Molecular Weight 442.596 g/mol
Solvent CDCl3
Source File Reference UWBT14091