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S-(-)-7,8-DIDEHYDRO-10-O-DEMETHYLXYLOPNININIUM_TRIFLUOROACETATE

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S-(-)-7,8-DIDEHYDRO-10-O-DEMETHYLXYLOPNININIUM_TRIFLUOROACETATE
SpectraBase Compound ID 32btcwSyvhf
InChI InChI=1S/C20H21NO4.C2HF3O2/c1-23-18-9-13-6-16-15-10-20(25-3)19(24-2)8-12(15)4-5-21(16)11-14(13)7-17(18)22;3-2(4,5)1(6)7/h7-11,16H,4-6H2,1-3H3;(H,6,7)
InChIKey VFNBODWIXIYCJN-UHFFFAOYSA-N
Mol Weight 453.41 g/mol
Molecular Formula C22H22F3NO6
Exact Mass 453.139922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6j7zu4i9T5h
Name S-(-)-7,8-DIDEHYDRO-10-O-DEMETHYLXYLOPNININIUM_TRIFLUOROACETATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22F3NO6
InChI InChI=1S/C20H21NO4.C2HF3O2/c1-23-18-9-13-6-16-15-10-20(25-3)19(24-2)8-12(15)4-5-21(16)11-14(13)7-17(18)22;3-2(4,5)1(6)7/h7-11,16H,4-6H2,1-3H3;(H,6,7)
InChIKey VFNBODWIXIYCJN-UHFFFAOYSA-N
Literature Reference Author S.F.TSAI,S.S.LEE
Literature Reference Citation J.NAT.PROD.,73,1632(2010)
Literature Reference DOI 10.1021/np100247r
Molecular Weight 453.415 g/mol
Sample ID 36178
Solvent CD3OD