| SpectraBase Compound ID | FK8AYRxIwP1 |
|---|---|
| InChI | InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m1/s1 |
| InChIKey | KURSRHBVYUACKS-WAIWTQGQSA-N |
| Mol Weight | 375.37 g/mol |
| Molecular Formula | C16H25NO9 |
| Exact Mass | 375.152931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1K0lyjDPK7k |
|---|---|
| Name | SIMMONDSIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H25NO9 |
| InChI | InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m1/s1 |
| InChIKey | KURSRHBVYUACKS-WAIWTQGQSA-N |
| Literature Reference Author | L.R.SIMPOL,H.OTSUKA,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,36,91(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97019-5 |
| Molecular Weight | 375.376 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU25838 |