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6-BETA-BENZOYLOXY-3-ALPHA-(E)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE-7-BETA-OL
SpectraBase Compound ID I0EVea3ARlC
InChI InChI=1S/C27H31NO8/c1-28-19-14-18(15-20(28)25(24(19)30)36-27(31)17-8-6-5-7-9-17)35-23(29)11-10-16-12-21(32-2)26(34-4)22(13-16)33-3/h5-13,18-20,24-25,30H,14-15H2,1-4H3/b11-10+/t18-,19+,20-,24+,25-/m0/s1
InChIKey WAJCMVOJBHUQJX-HFIAOIFGSA-N
Mol Weight 497.54 g/mol
Molecular Formula C27H31NO8
Exact Mass 497.204967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lKRb6jy07o
Name 6-BETA-BENZOYLOXY-3-ALPHA-(E)-(3,4,5-TRIMETHOXYCINNAMOYLOXY)-TROPANE-7-BETA-OL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO8
InChI InChI=1S/C27H31NO8/c1-28-19-14-18(15-20(28)25(24(19)30)36-27(31)17-8-6-5-7-9-17)35-23(29)11-10-16-12-21(32-2)26(34-4)22(13-16)33-3/h5-13,18-20,24-25,30H,14-15H2,1-4H3/b11-10+/t18-,19+,20-,24+,25-/m0/s1
InChIKey WAJCMVOJBHUQJX-HFIAOIFGSA-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 497.545 g/mol
Solvent CDCl3
Source File Reference UWSI5656