| SpectraBase Compound ID | 5adS5nNBJMl |
|---|---|
| InChI | InChI=1S/C22H21ClO8/c23-11-16(24)29-18-17-15(12-27-22(31-17)14-9-5-2-6-10-14)28-21(26)19(18)30-20(25)13-7-3-1-4-8-13/h1-10,15,17-19,21-22,26H,11-12H2/t15-,17-,18+,19-,21-,22-/m0/s1 |
| InChIKey | KRDYLJRYQKZNEQ-FSNRLIPJSA-N |
| Mol Weight | 448.86 g/mol |
| Molecular Formula | C22H21ClO8 |
| Exact Mass | 448.092495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqIvwughaeg |
|---|---|
| Name | BETA-ISOMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H21ClO8 |
| InChI | InChI=1S/C22H21ClO8/c23-11-16(24)29-18-17-15(12-27-22(31-17)14-9-5-2-6-10-14)28-21(26)19(18)30-20(25)13-7-3-1-4-8-13/h1-10,15,17-19,21-22,26H,11-12H2/t15-,17-,18+,19-,21-,22-/m0/s1 |
| InChIKey | KRDYLJRYQKZNEQ-FSNRLIPJSA-N |
| Literature Reference Author | D.J.LEFEBER,J.P.KAMERLING,J.F.G.VLIEGENTHART |
| Literature Reference Citation | ORG.LETTERS,2,701(2000) |
| Literature Reference DOI | 10.1021/ol005567z |
| Molecular Weight | 448.857 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI25809 |