| SpectraBase Compound ID | EdH15v9obsm |
|---|---|
| InChI | InChI=1S/C21H34O9/c1-7-11(5)20(26)29-18-14(23)17(28-13(22)9-10(3)4)15(24)19(16(18)25)30-21(27)12(6)8-2/h9,11-12,14-19,23-25H,7-8H2,1-6H3/t11?,12?,14-,15-,16-,17-,18+,19+/m0/s1 |
| InChIKey | MKPIHNXBGAZARR-ZFPUQOBFSA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C21H34O9 |
| Exact Mass | 430.220283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpXBhttAGH1 |
|---|---|
| Name | 1-L-MYO-INOSITOL_2-ALPHA,4-BETA-DIMETHYLBUTYRYL_6-BETA-SENECIOYL_1-(AXIAL)-BETA,3-ALPHA,5-ALPHA |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O9 |
| InChI | InChI=1S/C21H34O9/c1-7-11(5)20(26)29-18-14(23)17(28-13(22)9-10(3)4)15(24)19(16(18)25)30-21(27)12(6)8-2/h9,11-12,14-19,23-25H,7-8H2,1-6H3/t11?,12?,14-,15-,16-,17-,18+,19+/m0/s1 |
| InChIKey | MKPIHNXBGAZARR-ZFPUQOBFSA-N |
| Literature Reference Author | F.GAO,H.WANG,T.J.MABRY |
| Literature Reference Citation | PHYTOCHEM.,29,2273(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)83051-2 |
| Molecular Weight | 430.496 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ22450 |