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MADOLIN_W-(S)-MTPA-ESTER
SpectraBase Compound ID 2mSQyEUzLmg
InChI InChI=1S/C25H29F3O4/c1-17-8-7-9-18(16-29)14-20-15-23(20,2)21(13-12-17)32-22(30)24(31-3,25(26,27)28)19-10-5-4-6-11-19/h4-6,8,10-11,14,16,20-21H,7,9,12-13,15H2,1-3H3/b17-8+,18-14+/t20-,21-,23-,24+/m0/s1
InChIKey HQIBBFAPNIKIQN-CDJNIIASSA-N
Mol Weight 450.5 g/mol
Molecular Formula C25H29F3O4
Exact Mass 450.201794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SbNiimxnC0
Name MADOLIN_W-(S)-MTPA-ESTER
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29F3O4
InChI InChI=1S/C25H29F3O4/c1-17-8-7-9-18(16-29)14-20-15-23(20,2)21(13-12-17)32-22(30)24(31-3,25(26,27)28)19-10-5-4-6-11-19/h4-6,8,10-11,14,16,20-21H,7,9,12-13,15H2,1-3H3/b17-8+,18-14+/t20-,21-,23-,24+/m0/s1
InChIKey HQIBBFAPNIKIQN-CDJNIIASSA-N
Literature Reference Author Z.B.CHENG,W.W.SHAO,Y.N.LIU,Q.LIAO,T.T.LIN,X.Y.SHEN,S.YIN
Literature Reference Citation J.NAT.PROD.,76,664(2013)
Literature Reference DOI 10.1021/np300887d
Molecular Weight 450.498 g/mol
Sample ID 42411
Solvent CDCl3