| SpectraBase Spectrum ID |
6iYsQfd9Fac |
| Name |
(2R,3S,5R,6R)-3-but-3-Enyl-5,6-dimethoxy-5,6-dimethyl-[1,4]dioxane-2-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.141638422 u |
| Formula |
C13H22O6 |
| InChI |
InChI=1S/C13H22O6/c1-6-7-8-9-10(11(14)15)19-13(3,17-5)12(2,16-4)18-9/h6,9-10H,1,7-8H2,2-5H3,(H,14,15)/t9-,10+,12+,13+/m0/s1 |
| InChIKey |
IYCROSRKWCKOBQ-XKAARJIMSA-N |
| SMILES |
[C@@]1(O[C@]([C@@](O[C@]1(CCC=C)[H])(OC)C)(OC)C)(C(=O)O)[H] |
![(2R,3S,5R,6R)-3-But-3-enyl-5,6-dimethoxy-5,6-dimethyl-[1,4]dioxane-2-carboxylic acid](/api/spectrum/6iYsQfd9Fac/structure.png?h=300&w=458 "(2R,3S,5R,6R)-3-But-3-enyl-5,6-dimethoxy-5,6-dimethyl-[1,4]dioxane-2-carboxylic acid")
