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3,5,6,9-TETRAHYDROXY-MEGASTIGMA-7-ENE
SpectraBase Compound ID DZuV96mnnaL
InChI InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9?,10-,12+,13+/m1/s1
InChIKey CTCKPFXFWVNGLG-JLSIHIAYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGhsGz4dFkV
Name ARIPUANIN;(3S,5R,6S,7E,9XI)-MEGASTIGMANE-7-ENE-3,5,6,9-TETROL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9?,10-,12+,13+/m1/s1
InChIKey CTCKPFXFWVNGLG-JLSIHIAYSA-N
Literature Reference Author M.NASCIMENTO,A.C.ARRUDA,M.S.P.ARRUDA,A.H.MUELER,C.Y.YOSHIOKA
Literature Reference Citation FITOTERAPIA,70,628(1999)
Literature Reference DOI 10.1016/S0367-326X(99)00096-9
Molecular Weight 244.331 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWVN3790