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(3S,4R,9R)-3,4,9-TRIHYDROXY-MEGASTIGMAN-5-ENE
SpectraBase Compound ID G5ojIVIguWM
InChI InChI=1S/C13H24O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h8,11-12,14-16H,5-7H2,1-4H3/t8-,11+,12-/m1/s1
InChIKey NDXYJUFMTYNDEP-JFUSQASVSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GnQoh7wWYeS
Name (3S,4R,9R)-3,4,9-TRIHYDROXY-MEGASTIGMAN-5-ENE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h8,11-12,14-16H,5-7H2,1-4H3/t8-,11+,12-/m1/s1
InChIKey NDXYJUFMTYNDEP-JFUSQASVSA-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 228.332 g/mol
Solvent CD3OD
Source File Reference UWVN8153