| Name |
Cinnacassiol |
| Formula |
C39H54O20 |
| Mw |
842.32084417 |
| CAS RN |
1160707-55-0 |
| C_ID |
C00054692
|
| InChIKey |
MQBGJIQDVYJCON-UCUIAHEVSA-N |
| InChICode |
InChI=1S/C39H54O20/c1-19-25(42)28(45)31(48)35(55-19)52-15-24-27(44)30(47)33(37(58-24)56-22-12-6-5-10-21(22)11-7-13-40)59-32-29(46)26(43)23(16-53-38-34(49)39(50,17-41)18-54-38)57-36(32)51-14-20-8-3-2-4-9-20/h2-12,19,23-38,40-50H,13-18H2,1H3/b11-7+/t19-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccccc3/C=C/CO)[C@H](O[C@H]3[C@H](OCc4ccccc4)O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lauraceae | Cinnamomum cassia  | Ref. |
|
|
zoom in
| Organism | Cinnamomum cassia |
|---|
| Reference | Karrer, P. et al., Helv. Chim. Acta, 1949, 32, 1692 |
|---|
|
