| SpectraBase Spectrum ID |
y09RddNlZu |
| Name |
(E)-3-(3,5-Dimethoxy-4-(S-2-methylbutyryloxy)phenyl)propenyl angelate |
| Appearance |
Yellowish gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O6 |
| InChI |
InChI=1S/C21H28O6/c1-7-14(3)20(22)26-11-9-10-16-12-17(24-5)19(18(13-16)25-6)27-21(23)15(4)8-2/h7,9-10,12-13,15H,8,11H2,1-6H3/b10-9+,14-7-/t15-/m0/s1 |
| InChIKey |
FJDBHVFCXZTAMA-JJUGWMIKSA-N |
| Instrument Name |
Micromass Autospec Ultima ETOF |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np900213w |
| Molecular Weight |
376.449 g/mol |
| Optical Rotation |
[a]D20 = +11.4 (c = 1.26, MeOH) |
| SMILES |
c1(cc(cc(c1OC([C@](CC)(C)[H])=O)OC)\C=C\COC(\C(=C/C)C)=O)OC |
| SPLASH |
splash10-0a5c-9330000000-413ed131d28764b25e10 |
| Source of Spectrum |
G4-72-SM64-11 |
| Wiley ID |
1872229 |
