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BENGAZOLE-3

View entire compound with spectra: 1 NMR

BENGAZOLE-3
SpectraBase Compound ID FvXXd6X95AE
InChI InChI=1S/C29H48N2O7/c1-21(2)14-12-10-8-6-4-5-7-9-11-13-15-28(34)38-22(3)29(35)26(33)17-25(32)24-19-36-27(31-24)16-23-18-30-20-37-23/h18-22,25-26,29,32-33,35H,4-17H2,1-3H3/t22-,25-,26+,29-/m1/s1
InChIKey BQNITYRHUGZQQB-MCSUELHPSA-N
Mol Weight 536.7 g/mol
Molecular Formula C29H48N2O7
Exact Mass 536.346152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1e3lNo6BKyu
Name BENGAZOLE-3
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48N2O7
InChI InChI=1S/C29H48N2O7/c1-21(2)14-12-10-8-6-4-5-7-9-11-13-15-28(34)38-22(3)29(35)26(33)17-25(32)24-19-36-27(31-24)16-23-18-30-20-37-23/h18-22,25-26,29,32-33,35H,4-17H2,1-3H3/t22-,25-,26+,29-/m1/s1
InChIKey BQNITYRHUGZQQB-MCSUELHPSA-N
Literature Reference Author R.FERNANDEZ,M.DHERBOMEZ,Y.LETOURNEUX,M.NABIL,J.F.VERBIST,J.F .BIARD
Literature Reference Citation J.NAT.PROD.,62,678(1999)
Literature Reference DOI 10.1021/np980330l
Molecular Weight 536.709 g/mol
Solvent CDCl3
Source File Reference UWCP7715