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9,10-DIHYDROXY-4,7-MEGASTIGMADIEN-3-ONE;(+)-4-(3,4-DIHYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXENONE
SpectraBase Compound ID 81utecpDr7f
InChI InChI=1S/C13H20O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h4-6,10,12,14-15H,7-8H2,1-3H3/b5-4+/t10?,12-/m1/s1
InChIKey QNFGCJUWVHQNGF-DYJXBSQASA-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 4xAlbUCeFW5
Name 9,10-DIHYDROXY-4,7-MEGASTIGMADIEN-3-ONE;(+)-4-(3,4-DIHYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-2-CYCLOHEXENONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h4-6,10,12,14-15H,7-8H2,1-3H3/b5-4+/t10?,12-/m1/s1
InChIKey QNFGCJUWVHQNGF-DYJXBSQASA-N
Literature Reference Author H.GREGER,T.PACHER,B.BREM,M.BACHER,O.HOFER
Literature Reference Citation PHYTOCHEM.,57,57(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00471-4
Molecular Weight 224.300 g/mol
Solvent CDCl3
Source File Reference UWVN2106