| Name |
Tithonin |
| Formula |
C20H28O7 |
| Mw |
380.18350325 |
| CAS RN |
106533-67-9 |
| C_ID |
C00012145
, 
|
| InChIKey |
GDTHEBGUEQVSLM-LREOAXGNNA-N |
| InChICode |
InChI=1S/C20H28O7/c1-5-11(2)17(22)26-15-9-19(10-21)6-7-20(24,27-19)12(3)8-14-16(15)13(4)18(23)25-14/h8,11,14-16,21,24H,4-7,9-10H2,1-3H3/b12-8-/t11-,14+,15+,16-,19-,20+/m0/s1 |
| SMILES |
[C@@H]12[C@H](OC(=O)C1=C)/C=C(\[C@]1(CC[C@@](C[C@H]2OC(=O)[C@@H](C)CC)(O1)CO)O)/C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tithonia rotundifolia | Ref. |
|
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