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BONABILINE_A;8-METHYL-8-AZA-BICYCLO-[3.2.1]-OCT-3-YL_3,4-DIHYDROXY-6,6-DIMETHYLBICYCLO-[3.1.1]-HEPTAN-2-CARBOXYLATE
SpectraBase Compound ID C2kdnD89iTC
InChI InChI=1S/C18H29NO4/c1-18(2)12-8-13(18)15(20)16(21)14(12)17(22)23-11-6-9-4-5-10(7-11)19(9)3/h9-16,20-21H,4-8H2,1-3H3/t9-,10+,11?,12-,13+,14?,15-,16?/m1/s1
InChIKey NLDRTHCIVHPBQA-JAHKPVEHSA-N
Mol Weight 323.43 g/mol
Molecular Formula C18H29NO4
Exact Mass 323.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XNJqQo792V
Name BONABILINE_A;8-METHYL-8-AZA-BICYCLO-[3.2.1]-OCT-3-YL_3,4-DIHYDROXY-6,6-DIMETHYLBICYCLO-[3.1.1]-HEPTAN-2-CARBOXYLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29NO4
InChI InChI=1S/C18H29NO4/c1-18(2)12-8-13(18)15(20)16(21)14(12)17(22)23-11-6-9-4-5-10(7-11)19(9)3/h9-16,20-21H,4-8H2,1-3H3/t9-,10+,11?,12-,13+,14?,15-,16?/m1/s1
InChIKey NLDRTHCIVHPBQA-JAHKPVEHSA-N
Literature Reference Author S.C.OTT,K.JENETT-SIEMS,H.W.PERTZ,K.SIEMS,L.WITTE,E.EICH
Literature Reference Citation PLANTA.MED.,72,1403(2006)
Literature Reference DOI 10.1055/s-2006-951728
Molecular Weight 323.433 g/mol
Solvent CD3OD
Source File Reference UWMZ47683