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Hederagenin
SpectraBase Compound ID 9Ot080fITWX
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1
InChIKey PLMKQQMDOMTZGG-VGWBYOCFSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAfMRwZYERS
Name HEDERAGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22?,23?,24-,27-,28-,29+,30+,31-/m0/s1
InChIKey PLMKQQMDOMTZGG-VGWBYOCFSA-N
Literature Reference Author M.P.SOUSA,M.E.O.MATOS,M.I.L.MACHADO,R.B.FILHO,I.VENCATO,Y.P. MASCARENHAS
Literature Reference Citation PHYTOCHEM.,23,2589(1984)
Literature Reference DOI 10.1016/S0031-9422(00)84104-7
Molecular Weight 486.736 g/mol
Solvent CDCl3
Source File Reference UWBK613