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7-BETA-ACETOXY-6-BETA-BENZOYLOXY-3-ALPHA-(E)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE
SpectraBase Compound ID 4lrwUALOkV5
InChI InChI=1S/C29H33NO9/c1-17(31)37-26-21-15-20(16-22(30(21)2)27(26)39-29(33)19-9-7-6-8-10-19)38-25(32)12-11-18-13-23(34-3)28(36-5)24(14-18)35-4/h6-14,20-22,26-27H,15-16H2,1-5H3/b12-11+/t20-,21+,22-,26+,27-/m0/s1
InChIKey GNYNJIIKCOEBRO-UHOHAOERSA-N
Mol Weight 539.6 g/mol
Molecular Formula C29H33NO9
Exact Mass 539.215532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tyBUMIwci4
Name 7-BETA-ACETOXY-6-BETA-BENZOYLOXY-3-ALPHA-(E)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33NO9
InChI InChI=1S/C29H33NO9/c1-17(31)37-26-21-15-20(16-22(30(21)2)27(26)39-29(33)19-9-7-6-8-10-19)38-25(32)12-11-18-13-23(34-3)28(36-5)24(14-18)35-4/h6-14,20-22,26-27H,15-16H2,1-5H3/b12-11+/t20-,21+,22-,26+,27-/m0/s1
InChIKey GNYNJIIKCOEBRO-UHOHAOERSA-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 539.582 g/mol
Solvent CDCl3
Source File Reference UWSI5657