![Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(3-(2-pyridyl)prop-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate](/api/spectrum/8sJEdFMXno5/structure.png?h=300&w=458 "Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(3-(2-pyridyl)prop-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate")
| SpectraBase Compound ID | FvFtdWRAHm1 |
|---|---|
| InChI | InChI=1S/C20H27NO5/c1-3-25-18(22)12-14(2)11-17-20(24)19(23)15(13-26-17)7-6-9-16-8-4-5-10-21-16/h4-6,8-10,12,15,17,19-20,23-24H,3,7,11,13H2,1-2H3/b9-6+,14-12+/t15-,17-,19+,20-/m0/s1 |
| InChIKey | VWESDRZUJZQRKD-HNQFTVCSSA-N |
| Mol Weight | 361.44 g/mol |
| Molecular Formula | C20H27NO5 |
| Exact Mass | 361.188923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sJEdFMXno5 |
|---|---|
| Name | Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(3-(2-pyridyl)prop-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.188922968 u |
| Formula | C20H27NO5 |
| InChI | InChI=1S/C20H27NO5/c1-3-25-18(22)12-14(2)11-17-20(24)19(23)15(13-26-17)7-6-9-16-8-4-5-10-21-16/h4-6,8-10,12,15,17,19-20,23-24H,3,7,11,13H2,1-2H3/b9-6+,14-12+/t15-,17-,19+,20-/m0/s1 |
| InChIKey | VWESDRZUJZQRKD-HNQFTVCSSA-N |
| Molecular Weight | 361.438 g/mol |
| SMILES | [C@]1([C@@](OC[C@@]([C@]1(O)[H])(C\C=C\C1=NC=CC=C1)[H])(C\C(=C\C(=O)OCC)C)[H])(O)[H] |