| SpectraBase Compound ID | 33Rj9jqsDyX |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-12-17(29-13(2)23)9-22-11-28-20(26)15(22)5-4-6-18(22)21(12,3)8-16(24)14-7-19(25)27-10-14/h5,7,12,16-18,24H,4,6,8-11H2,1-3H3/t12-,16-,17-,18-,21+,22-/m1/s1 |
| InChIKey | SMXXBHJKHDZDPS-MBXJLBONSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8B0PpJPMsYP |
|---|---|
| Name | KERLINOLIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-12-17(29-13(2)23)9-22-11-28-20(26)15(22)5-4-6-18(22)21(12,3)8-16(24)14-7-19(25)27-10-14/h5,7,12,16-18,24H,4,6,8-11H2,1-3H3/t12-,16-,17-,18-,21+,22-/m1/s1 |
| InChIKey | SMXXBHJKHDZDPS-MBXJLBONSA-N |
| Literature Reference Author | J.CARDENAS,B.ESQUIVEL,L.RODRIGUEZ-HAHN,K.JANKOWSKI,M.R.VANCA LSTEREN |
| Literature Reference Citation | MAGN.RES.CHEM.,32,321(1994) |
| Literature Reference DOI | 10.1002/mrc.1260320602 |
| Molecular Weight | 404.460 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP933 |