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Melilotigenin
SpectraBase Compound ID 9CaFRoTRPEX
InChI InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,22-,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey MVTZJCYINFKILV-KHHGOXTRSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkJsncA9i2d
Name MELILOTIGENIN
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,22-,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey MVTZJCYINFKILV-KHHGOXTRSA-N
Literature Reference Author F.A.MACIAS,A.M.SIMONET,J.C.G.GALINDO,P.C.PACHECO,J.A.SANCHEZ
Literature Reference Citation PHYTOCHEM.,49,709(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00167-8
Molecular Weight 486.692 g/mol
Solvent C5D5N
Source File Reference UWLU173