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Marrubiagenin
SpectraBase Compound ID 958KvogP0QW
InChI InChI=1S/C20H28O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20-/m1/s1
InChIKey FEOFLRVZBOQGQA-LONLNUGOSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hcrg9rHIVF
Name MARRUBIAGENINE;CIS-CLERODA-3,13(14)-DIEN-15,16-OLIDE-18-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20-/m1/s1
InChIKey FEOFLRVZBOQGQA-LONLNUGOSA-N
Literature Reference Author D.A.CIFUENTE,E.J.BORKOWSKI,M.E.SOSA,J.C.GIANELLO,O.S.GIORDAN O,C.E.TONN
Literature Reference Citation PHYTOCHEM.,61,899(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00437-5
Molecular Weight 332.440 g/mol
Solvent CDCl3
Source File Reference UWLU29478