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MEGASTIGMANE
SpectraBase Compound ID G7UHV37u6im
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-QONQCXDZSA-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 2xISsMU6wCD
Name (3S,5R,6R,9S)-3,5,6,9-TETRAHYDROXY-MEGASTIGMANE
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-QONQCXDZSA-N
Literature Reference Author Q.YU,H.OTSUKA,E.HIRATA,T.SHINZATO,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,50,640(2002)
Literature Reference DOI 10.1248/cpb.50.640
Molecular Weight 244.331 g/mol
Solvent CD3OD
Source File Reference UWVN8145