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BENTHOPHOENIN-METHYLESTER

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BENTHOPHOENIN-METHYLESTER
SpectraBase Compound ID 507rXMXsvtI
InChI InChI=1S/C38H36N2O4/c1-25(2)12-11-13-26(3)20-21-40-33-23-29(36(41)27-14-7-5-8-15-27)18-19-32(33)39-35-31(38(43)44-4)22-30(24-34(35)40)37(42)28-16-9-6-10-17-28/h5-10,12,14-20,22-24,39H,11,13,21H2,1-4H3/b26-20+
InChIKey DTDNYVSDBXNHSF-LHLOQNFPSA-N
Mol Weight 584.7 g/mol
Molecular Formula C38H36N2O4
Exact Mass 584.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sQ3T9H5Uk7
Name BENTHOPHOENIN-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36N2O4
InChI InChI=1S/C38H36N2O4/c1-25(2)12-11-13-26(3)20-21-40-33-23-29(36(41)27-14-7-5-8-15-27)18-19-32(33)39-35-31(38(43)44-4)22-30(24-34(35)40)37(42)28-16-9-6-10-17-28/h5-10,12,14-20,22-24,39H,11,13,21H2,1-4H3/b26-20+
InChIKey DTDNYVSDBXNHSF-LHLOQNFPSA-N
Literature Reference Author K.SHIN-YA,Y.HAYAKAWA,H.SETO
Literature Reference Citation J.NAT.PROD.,56,1255(1993)
Literature Reference DOI 10.1021/np50098a008
Molecular Weight 584.715 g/mol
Solvent CDCl3
Source File Reference UWLG11