| SpectraBase Compound ID | 7CAeUrspBTO |
|---|---|
| InChI | InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8?,9?,11-,13-,14+,15-,17?,18+/m0/s1 |
| InChIKey | MPCHHOVJEMEKKG-BCNIJHITSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C18H26O11 |
| Exact Mass | 418.147512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1SU3u1eXUf |
|---|---|
| Name | SECOLOGANOSIDE-DIMETHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H26O11 |
| InChI | InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8?,9?,11-,13-,14+,15-,17?,18+/m0/s1 |
| InChIKey | MPCHHOVJEMEKKG-BCNIJHITSA-N |
| Literature Reference Author | A.A.MUELLER,M.WEIGEND |
| Literature Reference Citation | PHYTOCHEM.,49,131(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01000-5 |
| Molecular Weight | 418.398 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU24 |