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VERSICOLACTONE_B-(S)-MTPA-ESTER

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VERSICOLACTONE_B-(S)-MTPA-ESTER
SpectraBase Compound ID IvSk8m13hs6
InChI InChI=1S/C25H27F3O5/c1-15(2)19-12-10-16(3)20(13-11-17-14-21(19)32-22(17)29)33-23(30)24(31-4,25(26,27)28)18-8-6-5-7-9-18/h5-10,14,19-21H,1,11-13H2,2-4H3/b16-10+/t19-,20+,21-,24+/m1/s1
InChIKey TZVYHJVXBSVKNP-OTZDMMPMSA-N
Mol Weight 464.48 g/mol
Molecular Formula C25H27F3O5
Exact Mass 464.181058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK6Gaxjeu8h
Name VERSICOLACTONE_B-(S)-MTPA-ESTER
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27F3O5
InChI InChI=1S/C25H27F3O5/c1-15(2)19-12-10-16(3)20(13-11-17-14-21(19)32-22(17)29)33-23(30)24(31-4,25(26,27)28)18-8-6-5-7-9-18/h5-10,14,19-21H,1,11-13H2,2-4H3/b16-10+/t19-,20+,21-,24+/m1/s1
InChIKey TZVYHJVXBSVKNP-OTZDMMPMSA-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 464.482 g/mol
Sample ID 42409
Solvent CDCl3