| SpectraBase Compound ID | Di3X5sNILCm |
|---|---|
| InChI | InChI=1S/C22H28O9/c1-11-17-15(30-21(28)14(10-24)6-7-29-12(2)25)8-22(3)16(26)5-4-13(9-23)18(22)19(17)31-20(11)27/h6,9,13,15-19,24,26H,1,4-5,7-8,10H2,2-3H3/b14-6+/t13-,15+,16-,17-,18?,19+,22+/m1/s1 |
| InChIKey | MBXJTNWCNHRTMO-BDLNQAABSA-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 | 5N2M3VPvIOd |
|---|---|
| Name | 8-ALPHA-O-(4-ACETOXY-2-HYDROXYMETHYLBUTEN-2-OYLOXY)-4-EPI-SONCHUCARPOLIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O9 |
| InChI | InChI=1S/C22H28O9/c1-11-17-15(30-21(28)14(10-24)6-7-29-12(2)25)8-22(3)16(26)5-4-13(9-23)18(22)19(17)31-20(11)27/h6,9,13,15-19,24,26H,1,4-5,7-8,10H2,2-3H3/b14-6+/t13-,15+,16-,17-,18?,19+,22+/m1/s1 |
| InChIKey | MBXJTNWCNHRTMO-BDLNQAABSA-N |
| Literature Reference Author | V.SAROGLOU,A.KARIOTI,C.DEMETZOS,K.DIMAS,H.SKALTSA |
| Literature Reference Citation | J.NAT.PROD.,68,1404(2005) |
| Literature Reference DOI | 10.1021/np058042u |
| Molecular Weight | 436.459 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ13262 |