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6,9-DIHYDROXY-4,7-MEGASTIGMADIEN-3-ONE

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6,9-DIHYDROXY-4,7-MEGASTIGMADIEN-3-ONE
SpectraBase Compound ID AfkOcMSCIcU
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
InChIKey KPQMCAKZRXOZLB-AATRIKPKSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HraDJ3BPlsQ
Name (6S,9S/6R,9R)-VOMIFOLIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
InChIKey KPQMCAKZRXOZLB-AATRIKPKSA-N
Literature Reference Author N.V.HUYNH,T.H.T.NGUYEN,K.P.P.NGUYEN,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,51,439(2013)
Literature Reference DOI 10.1002/mrc.3963
Molecular Weight 224.300 g/mol
Solvent CDCl3
Source File Reference UWIR13120