| SpectraBase Compound ID | If2SeYbe5kr |
|---|---|
| InChI | InChI=1S/C21H30O12/c1-10(2)16(8-27-11(3)22)32-21-20(31-15(7)26)19(30-14(6)25)18(29-13(5)24)17(33-21)9-28-12(4)23/h16-21H,1,8-9H2,2-7H3/t16-,17-,18-,19+,20-,21-/m1/s1 |
| InChIKey | IUEFSOIWLIPTJT-HUJIQXBTSA-N |
| Mol Weight | 474.46 g/mol |
| Molecular Formula | C21H30O12 |
| Exact Mass | 474.173726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oqqYjCf5nt |
|---|---|
| Name | HEMIALBOSIDE_PENTAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O12 |
| InChI | InChI=1S/C21H30O12/c1-10(2)16(8-27-11(3)22)32-21-20(31-15(7)26)19(30-14(6)25)18(29-13(5)24)17(33-21)9-28-12(4)23/h16-21H,1,8-9H2,2-7H3/t16-,17-,18-,19+,20-,21-/m1/s1 |
| InChIKey | IUEFSOIWLIPTJT-HUJIQXBTSA-N |
| Literature Reference Author | S.DAMTOFT,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,39,923(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00085-L |
| Molecular Weight | 474.462 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8915 |