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6-BETA-BENZOYLOXY-3-ALPHA-(E)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE
SpectraBase Compound ID 5sT2hvlYCtc
InChI InChI=1S/C27H31NO7/c1-28-19-14-20(16-21(28)22(15-19)35-27(30)18-8-6-5-7-9-18)34-25(29)11-10-17-12-23(31-2)26(33-4)24(13-17)32-3/h5-13,19-22H,14-16H2,1-4H3/b11-10+/t19-,20+,21+,22-/m1/s1
InChIKey PLZLLRPGNBZDSI-KMMBOGASSA-N
Mol Weight 481.55 g/mol
Molecular Formula C27H31NO7
Exact Mass 481.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdaNyNxAZXe
Name 6-BETA-BENZOYLOXY-3-ALPHA-(Z)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO7
InChI InChI=1S/C27H31NO7/c1-28-19-14-20(16-21(28)22(15-19)35-27(30)18-8-6-5-7-9-18)34-25(29)11-10-17-12-23(31-2)26(33-4)24(13-17)32-3/h5-13,19-22H,14-16H2,1-4H3/b11-10+/t19-,20+,21+,22-/m1/s1
InChIKey PLZLLRPGNBZDSI-KMMBOGASSA-N
Literature Reference Author D.CHAVEZ,B.CUI,H.B.CHAI,R.GARCIA,M.MEJIA,N.R.FARNSWORTH,G.A. CORDELL,J.M.PEZZUTO,
Literature Reference Citation J.NAT.PROD.,65,606(2002)
Literature Reference DOI 10.1021/np0104774
Molecular Weight 481.546 g/mol
Solvent CDCl3
Source File Reference UWSI5653