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(1-R,2-R,3-R,6-S,7-S,7A-S)-1,2,7-TRI-(BENZYLOXY)-3-[(BENZYLOXY)-METHYL]-5-OXO-HEXAHYDRO-5-H-PYRROLIZIN-6-YL_BENZOATE
SpectraBase Compound ID ATyQsT61tcK
InChI InChI=1S/C43H41NO7/c45-42-41(51-43(46)35-24-14-5-15-25-35)40(50-29-34-22-12-4-13-23-34)37-39(49-28-33-20-10-3-11-21-33)38(48-27-32-18-8-2-9-19-32)36(44(37)42)30-47-26-31-16-6-1-7-17-31/h1-25,36-41H,26-30H2/t36-,37+,38-,39-,40+,41+/m1/s1
InChIKey ZOVIZWAWIWBWCD-CIGIGUQUSA-N
Mol Weight 683.8 g/mol
Molecular Formula C43H41NO7
Exact Mass 683.288303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74YcJY4YlhH
Name (1-R,2-R,3-R,6-S,7-S,7A-S)-1,2,7-TRI-(BENZYLOXY)-3-[(BENZYLOXY)-METHYL]-5-OXO-HEXAHYDRO-5-H-PYRROLIZIN-6-YL_BENZOATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H41NO7
InChI InChI=1S/C43H41NO7/c45-42-41(51-43(46)35-24-14-5-15-25-35)40(50-29-34-22-12-4-13-23-34)37-39(49-28-33-20-10-3-11-21-33)38(48-27-32-18-8-2-9-19-32)36(44(37)42)30-47-26-31-16-6-1-7-17-31/h1-25,36-41H,26-30H2/t36-,37+,38-,39-,40+,41+/m1/s1
InChIKey ZOVIZWAWIWBWCD-CIGIGUQUSA-N
Literature Reference Author C.PARMEGGIANI,D.MARTELLA,F.CARDONA,A.GOTI
Literature Reference Citation J.NAT.PROD.,72,2058(2009)
Literature Reference DOI 10.1021/np900435d
Molecular Weight 683.801 g/mol
Sample ID 34144
Solvent CDCl3