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TRIHYDROXY-BETA-IONONE
SpectraBase Compound ID EyhNh1xodTO
InChI InChI=1S/C13H22O4/c1-9(14)5-8-13(17)11(2,3)10(15)6-7-12(13,4)16/h5,8,10,15-17H,6-7H2,1-4H3/b8-5+/t10-,12+,13+/m0/s1
InChIKey AINWQXGCCNSLLQ-DFCYBAGLSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtjC5JKsBdT
Name TRIHYDROXY-BETA-IONONE
Compound Number 1:4-[(1'R,2'R,5'S)-1 ',2',5'-TRIHYDROXY-2',6',6'-TRIMETHYL-1'-CYCLOHEXYL]- 3E-BUTEN-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-9(14)5-8-13(17)11(2,3)10(15)6-7-12(13,4)16/h5,8,10,15-17H,6-7H2,1-4H3/b8-5+/t10-,12+,13+/m0/s1
InChIKey AINWQXGCCNSLLQ-DFCYBAGLSA-N
Literature Reference Author H.SASAKI,T.MOROTA,H.NISHIMURA,T.OGINO,T.KATSUHARA,K.SUGAMA,M .CHIN,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,30,1997(1991)
Literature Reference DOI 10.1016/0031-9422(91)85055-5
Molecular Weight 242.315 g/mol
Solvent CD3OD
Source File Reference UWLU27655