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Cycleanine - .beta.-N-Oxide
SpectraBase Compound ID hRLhsXmHii
InChI InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40?/m1/s1
InChIKey BJIBONWGTYBODI-VIUBGJTESA-N
Mol Weight 638.8 g/mol
Molecular Formula C38H42N2O7
Exact Mass 638.299202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kGVTMFqsKu
Name CYClEANINE-ALPHA-N-OXIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42N2O7
InChI InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40?/m1/s1
InChIKey BJIBONWGTYBODI-VIUBGJTESA-N
Literature Reference Author N.KASHIWABA,M.ONO,J.TODA,H.SUZUKI,T.SANO
Literature Reference Citation J.NAT.PROD.,61,253(1998)
Literature Reference DOI 10.1021/np970362t
Molecular Weight 638.761 g/mol
Solvent CDCl3
Source File Reference UWKP198