| Name |
Neopetasitenine |
| Formula |
C21H29NO8 |
| Mw |
423.18931691 |
| CAS RN |
60409-51-0 |
| C_ID |
C00057465
|
| InChIKey |
RNNVXCSFOWGBQP-XAHVSKGQSA-N |
| InChICode |
InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1 |
| SMILES |
CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@@]3(C[C@H]1C)O[C@@H]3C)C2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Petasites japonicus  | Ref. |
|
|
zoom in
| Organism | Petasites japonicus |
|---|
| Reference | Yamada, K. et al., Chem. Lett., 1976, 461 (isol, struct) |
|---|
|
