| SpectraBase Spectrum ID |
LhiFwgaIvOr |
| Name |
3-[O-Caffeyl]-2,3,4-trihydroxy-2-methylbutan-1,4-olide |
| Alternate Name(s) |
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (3R,4R)-4-hydroxy-4-methyl-5-oxo-tetrahydro-furan-3-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14O7 |
| InChI |
InChI=1S/C14H14O7/c1-14(19)11(7-20-13(14)18)21-12(17)5-3-8-2-4-9(15)10(16)6-8/h2-6,11,15-16,19H,7H2,1H3/b5-3+/t11-,14-/m1/s1 |
| InChIKey |
OPURFTKJCNDEDB-UOLJMSNASA-N |
| Molecular Weight |
294.259 g/mol |
| SMILES |
Oc1cc(ccc1O)\C=C\C(O[C@]1([C@](C(OC1)=O)(O)C)[H])=O |
| SPLASH |
splash10-03e9-0930000000-8b81e75ff0d57c178aea |
| Source of Spectrum |
Y4-91-110-5 |
| Wiley ID |
1550490 |
