| SpectraBase Spectrum ID |
3ODjYgl5tWU |
| Name |
Bifragranal |
| Appearance |
White viscous liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H12O6 |
| InChI |
InChI=1S/C20H12O6/c21-7-9-3-1-5-11-13(9)15-17(25-19(11)23)16-14-10(8-22)4-2-6-12(14)20(24)26-18(15)16/h1-8,15-18H/t15-,16-,17+,18+ |
| InChIKey |
WSKZFWQFMFAZGV-BALXVJCKSA-N |
| Instrument Name |
ThermoFinnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00691 |
| Molecular Weight |
348.310 g/mol |
| Optical Rotation |
[a]D26 = -0.8 (c = 1.0, CHCl3) |
| Reported Formula |
C20H12O6 |
| SMILES |
c1cc(c2c(c1)C(O[C@@]1([C@]2([C@@]2([C@]1(c1c(C(O2)=O)cccc1C=O)[H])[H])[H])[H])=O)C=O |
| SPLASH |
splash10-00xr-0900000000-f5a1b33f076a087dfcdd |
| Source of Spectrum |
G4-79-772-5 |
| Wiley ID |
1849281 |
