| SpectraBase Compound ID | 3IZ1NJpYPGh |
|---|---|
| InChI | InChI=1S/C20H23ClO8/c1-5-9(2)17(24)28-15-14-12(27-18(25)20(14,26)8-21)6-10(3)11-7-13(22)19(4,29-11)16(15)23/h5-7,12,14-16,23,26H,8H2,1-4H3/b9-5+,10-6-/t12-,14+,15+,16+,19+,20+/m1/s1 |
| InChIKey | IRDKEGQJHUGEKJ-VQJMQCLASA-N |
| Mol Weight | 426.85 g/mol |
| Molecular Formula | C20H23ClO8 |
| Exact Mass | 426.108145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hO6szIq5Ow |
|---|---|
| Name | 11,13-DIHYDRO-9-BETA,11-ALPHA-DIHYDROXY-13-CHLORO-ATRIPLICIOLIDE-8-O-TIGLATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H23ClO8 |
| InChI | InChI=1S/C20H23ClO8/c1-5-9(2)17(24)28-15-14-12(27-18(25)20(14,26)8-21)6-10(3)11-7-13(22)19(4,29-11)16(15)23/h5-7,12,14-16,23,26H,8H2,1-4H3/b9-5+,10-6-/t12-,14+,15+,16+,19+,20+/m1/s1 |
| InChIKey | IRDKEGQJHUGEKJ-VQJMQCLASA-N |
| Literature Reference Author | T.MORGENSTERN,R.M.KING,J.JAKUPOVIC |
| Literature Reference Citation | PHYTOCHEM.,41,1543(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00806-3 |
| Molecular Weight | 426.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4452 |