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ARISTOYUNNOLIN_E-(R)-MTPA-ESTER

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ARISTOYUNNOLIN_E-(R)-MTPA-ESTER
SpectraBase Compound ID AKCMK41Axaj
InChI InChI=1S/C25H29F3O4/c1-18-9-7-11-19(2)15-22(16-20(17-29)12-8-10-18)32-23(30)24(31-3,25(26,27)28)21-13-5-4-6-14-21/h4-6,10-11,13-14,16-17,22H,7-9,12,15H2,1-3H3/b18-10+,19-11+,20-16+/t22-,24-/m0/s1
InChIKey LVSWQNOCCATUQS-NGOSYVJESA-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 7ijeECnbZKr
Name ARISTOYUNNOLIN_E-(R)-MTPA-ESTER
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29F3O4
InChI InChI=1S/C25H29F3O4/c1-18-9-7-11-19(2)15-22(16-20(17-29)12-8-10-18)32-23(30)24(31-3,25(26,27)28)21-13-5-4-6-14-21/h4-6,10-11,13-14,16-17,22H,7-9,12,15H2,1-3H3/b18-10+,19-11+,20-16+/t22-,24-/m0/s1
InChIKey LVSWQNOCCATUQS-NGOSYVJESA-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 42406
Solvent CDCl3