| SpectraBase Spectrum ID |
CwPipDO4CC4 |
| Name |
Xestodecalactone B |
| Appearance |
White powder residue |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O6 |
| InChI |
InChI=1S/C14H16O6/c1-7-2-9(15)5-11(17)14-8(4-13(19)20-7)3-10(16)6-12(14)18/h3,6-7,9,15-16,18H,2,4-5H2,1H3/t7-,9+/m0/s1 |
| InChIKey |
OESLECARYLNMSC-IONNQARKSA-N |
| Instrument Name |
Finnigan MAT 8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020085c |
| Molecular Weight |
280.276 g/mol |
| Optical Rotation |
[a]D = +17.3 (c = 3.08, MeOH) |
| Reported Formula |
C14H16O6 |
| SMILES |
Oc1cc(c2c(c1)CC(O[C@](C[C@](CC2=O)(O)[H])(C)[H])=O)O |
| SPLASH |
splash10-0uxr-2920000000-138284367d4502e47f64 |
| Source of Spectrum |
G4-65-1603-2a |
| Wiley ID |
1883438 |
