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CINEROCTINE;13-ALPHA-(3-HYDROXY-CIS-OCT-5-ENOYL)-OXYLUPANINE
SpectraBase Compound ID JIl5mysvjKu
InChI InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3-/t16-,17-,18?,19-,20?,21?/m0/s1
InChIKey COEBHSNHYKFGAA-DQRWJNMLSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KuUZNtAkFd
Name CINEROCTINE;13-ALPHA-(3-HYDROXY-CIS-OCT-5-ENOYL)-OXYLUPANINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3-/t16-,17-,18?,19-,20?,21?/m0/s1
InChIKey COEBHSNHYKFGAA-DQRWJNMLSA-N
Literature Reference Author I.V.ERNSEN,V.WRAY,L.WRITTE,P.CANTO,R.GREINWALD,G.VEEN,M.VEIT ,F.C.CZYGAN
Literature Reference Citation PHYTOCHEM.,35,421(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94774-5
Molecular Weight 404.550 g/mol
Solvent CDCl3
Source File Reference UWLU24536