| SpectraBase Compound ID | ICvGIc1OcTa |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-12(2)15-5-6-16-19-17-9-13(3)18(28-27-17)10-21(19,11-26-14(4)23)7-8-22(15,16)20(24)25/h9,12,15-19H,5-8,10-11H2,1-4H3,(H,24,25)/t15-,16+,17-,18-,19-,21+,22+/m1/s1 |
| InChIKey | RDNDSRLZDOEQBR-VSONCLMKSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UJ2wjLFWsr |
|---|---|
| Name | 17-ACETOXYMULINIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-12(2)15-5-6-16-19-17-9-13(3)18(28-27-17)10-21(19,11-26-14(4)23)7-8-22(15,16)20(24)25/h9,12,15-19H,5-8,10-11H2,1-4H3,(H,24,25)/t15-,16+,17-,18-,19-,21+,22+/m1/s1 |
| InChIKey | RDNDSRLZDOEQBR-VSONCLMKSA-N |
| Literature Reference Author | L.A.LOYOLO,G.MORALES,M.C.D.L.TORRE,S.PEDREROS,B.RODRIGUEZ |
| Literature Reference Citation | PHYTOCHEM.,29,3950(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85372-M |
| Molecular Weight | 392.492 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ19642 |