| SpectraBase Compound ID | Ir2B5Z0hDmQ |
|---|---|
| InChI | InChI=1S/C21H27ClO9/c1-11-7-14(30-18(25)20(4,26)10-22)16-13(9-28-12(2)23)17(24)29-15(16)8-19(3)5-6-21(11,27)31-19/h8,11,14,26-27H,5-7,9-10H2,1-4H3/b15-8+/t11?,14?,19-,20?,21+/m0/s1 |
| InChIKey | KBNAVWJVMFKJOU-YHIARWQRSA-N |
| Mol Weight | 458.89 g/mol |
| Molecular Formula | C21H27ClO9 |
| Exact Mass | 458.13436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMUPggFzR0P |
|---|---|
| Name | VERNCHINILIDE_A;8-ALPCH-(3-CHLORO-2-HYDROXY-2-METHYLPROPANOYLOXY)_HIRSUTINOLIDE_13-O-ACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H27ClO9 |
| InChI | InChI=1S/C21H27ClO9/c1-11-7-14(30-18(25)20(4,26)10-22)16-13(9-28-12(2)23)17(24)29-15(16)8-19(3)5-6-21(11,27)31-19/h8,11,14,26-27H,5-7,9-10H2,1-4H3/b15-8+/t11?,14?,19-,20?,21+/m0/s1 |
| InChIKey | KBNAVWJVMFKJOU-YHIARWQRSA-N |
| Literature Reference Author | X.CHEN,Z.J.ZHAN,X.W.ZHANG,J.DING,J.M.YUE |
| Literature Reference Citation | PLANTA.MED.,71,949(2005) |
| Literature Reference DOI | 10.1055/s-2005-871212 |
| Molecular Weight | 458.893 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48092 |