| SpectraBase Spectrum ID |
2xQq1rtKkqv |
| Name |
Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(5-hydroxypent-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 |
328.188588616 u |
| Formula |
C17H28O6 |
| InChI |
InChI=1S/C17H28O6/c1-3-22-15(19)10-12(2)9-14-17(21)16(20)13(11-23-14)7-5-4-6-8-18/h4-5,10,13-14,16-18,20-21H,3,6-9,11H2,1-2H3/b5-4+,12-10+/t13-,14-,16+,17-/m0/s1 |
| InChIKey |
JNMIYDDFZLNXBF-DUGCWTLCSA-N |
| Molecular Weight |
328.405 g/mol |
| SMILES |
[C@]1([C@@](OC[C@@]([C@]1(O)[H])(C\C=C\CCO)[H])(C\C(=C\C(=O)OCC)C)[H])(O)[H] |
![Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(5-hydroxypent-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate](/api/spectrum/2xQq1rtKkqv/structure.png?h=300&w=458 "Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(5-hydroxypent-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate")
