| SpectraBase Spectrum ID |
4Jgsz0WzsO |
| Name |
Xestodecalactone A |
| Appearance |
White powder residue |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O5 |
| InChI |
InChI=1S/C14H16O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h5,7-8,15,17H,2-4,6H2,1H3 |
| InChIKey |
AQNZLWYQYFPMBX-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020085c |
| Molecular Weight |
264.277 g/mol |
| Optical Rotation |
[a]D = +28.3 (c = 0.31, MeOH) |
| Reported Formula |
C14H16O5 |
| SMILES |
Oc1cc(c2c(c1)CC(OC(CCCC2=O)C)=O)O |
| SPLASH |
splash10-02t9-2970000000-cbe507e365b4293ce8cf |
| Source of Spectrum |
G4-65-1603-1 |
| Wiley ID |
1883437 |
