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D-6-O-[(S)-(+)-O-ACETYLMANDELOYL]-1,2-O-CYCLOHEXYLIDENE-MYO-INOSITOL
SpectraBase Compound ID 7VG0JAGZ87H
InChI InChI=1S/C22H28O9/c1-12(23)28-17(13-8-4-2-5-9-13)21(27)29-18-15(25)14(24)16(26)19-20(18)31-22(30-19)10-6-3-7-11-22/h2,4-5,8-9,14-20,24-26H,3,6-7,10-11H2,1H3/t14-,15-,16+,17+,18+,19+,20-/m0/s1
InChIKey JXPHDQJDEWOOFM-BKFJMFTRSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Vbg4xED2JI
Name D-6-O-[(S)-(+)-O-ACETYLMANDELOYL]-1,2-O-CYCLOHEXYLIDENE-MYO-INOSITOL
Compound Number 2DS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-12(23)28-17(13-8-4-2-5-9-13)21(27)29-18-15(25)14(24)16(26)19-20(18)31-22(30-19)10-6-3-7-11-22/h2,4-5,8-9,14-20,24-26H,3,6-7,10-11H2,1H3/t14-,15-,16+,17+,18+,19+,20-/m0/s1
InChIKey JXPHDQJDEWOOFM-BKFJMFTRSA-N
Literature Reference Author Y.WATANABE,T.MIYASOU,M.HAYASHI
Literature Reference Citation ORG.LETTERS,6,1547(2004)
Literature Reference DOI 10.1021/ol049737+
Molecular Weight 436.459 g/mol
Sample ID 45758
Solvent CD3OD