![L-6-O-[(S)-(+)-O-ACETYLMANDELOYL]-1,2-O-CYCLOHEXYLIDENE-MYO-INOSITOL](/api/spectrum/CoF55WkuECx/structure.png?h=300&w=458 "L-6-O-[(S)-(+)-O-ACETYLMANDELOYL]-1,2-O-CYCLOHEXYLIDENE-MYO-INOSITOL")
| SpectraBase Compound ID | KP7JKmPQacN |
|---|---|
| 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-/m1/s1 |
| InChIKey | JXPHDQJDEWOOFM-BCPGGHEJSA-N |
| Mol Weight | 436.46 g/mol |
| Molecular Formula | C22H28O9 |
| Exact Mass | 436.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoF55WkuECx |
|---|---|
| Name | L-6-O-[(S)-(+)-O-ACETYLMANDELOYL]-1,2-O-CYCLOHEXYLIDENE-MYO-INOSITOL |
| Compound Number | 3LS |
| 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-/m1/s1 |
| InChIKey | JXPHDQJDEWOOFM-BCPGGHEJSA-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 | 45759 |
| Solvent | CD3OD |