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PYYXBHCJGTUGIW-BDXQWILXSA-N

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PYYXBHCJGTUGIW-BDXQWILXSA-N
SpectraBase Compound ID 5uMG21D43zt
InChI InChI=1S/C27H43NO4/c1-5-18-15-28(10-11-32-18)22-13-26(3)17(12-23(22)30)6-7-19-21-9-8-20(16(2)29)27(21,4)14-24(31)25(19)26/h17-23,25,30H,5-15H2,1-4H3/t17?,18-,19?,20-,21?,22+,23+,25?,26+,27-/m1/s1
InChIKey PYYXBHCJGTUGIW-BDXQWILXSA-N
Mol Weight 445.6 g/mol
Molecular Formula C27H43NO4
Exact Mass 445.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FM8w0s93Svr
Name PYYXBHCJGTUGIW-BDXQWILXSA-N
Compound Number 9
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO4
InChI InChI=1S/C27H43NO4/c1-5-18-15-28(10-11-32-18)22-13-26(3)17(12-23(22)30)6-7-19-21-9-8-20(16(2)29)27(21,4)14-24(31)25(19)26/h17-23,25,30H,5-15H2,1-4H3/t17?,18-,19?,20-,21?,22+,23+,25?,26+,27-/m1/s1
InChIKey PYYXBHCJGTUGIW-BDXQWILXSA-N
Literature Reference Author L.FIELDING,N.HAMILTON,R.MCGUIRE,M.MAIDMENT,A.C.CAMPBELL
Literature Reference Citation MAGN.RES.CHEM.,34,59(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199601)34:1<59::aid-omr830>3.0.co;2-7
Molecular Weight 445.643 g/mol
Solvent CDCl3
Source File Reference UWCP2333