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Aconine
SpectraBase Compound ID JLToasDXCk1
InChI InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16+,17?,18-,19-,20+,21+,22+,23+,24+,25-/m1/s1
InChIKey SQMGCPHFHQGPIF-GFBFXQRSSA-N
Mol Weight 499.6 g/mol
Molecular Formula C25H41NO9
Exact Mass 499.278132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UQj8XV2nk3
Name ACONINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H41NO9
InChI InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16+,17?,18-,19-,20+,21+,22+,23+,24+,25-/m1/s1
InChIKey SQMGCPHFHQGPIF-GFBFXQRSSA-N
Literature Reference Author J.B.HANUMAN,A.KATZ
Literature Reference Citation PHYTOCHEM.,36,1527(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89756-3
Molecular Weight 499.602 g/mol
Solvent CDCl3
Source File Reference UWLU26472