| Name |
Ajugapyrin A
(-)-Ajugapyrin A |
| Formula |
C27H38O9 |
| Mw |
506.25158281 |
| CAS RN |
202343-93-9 |
| C_ID |
C00049102
, 
|
| InChIKey |
LCUUDDVODSPJLB-MWXQOEIZNA-N |
| InChICode |
InChI=1S/C27H38O9/c1-6-13(2)22(30)36-24-27-19(33-15(4)28)9-14(3)25(5,18-10-16-7-8-31-23(16)35-18)21(27)20(29)17(34-24)11-26(27)12-32-26/h6,14,16-21,23-24,29H,7-12H2,1-5H3/b13-6+/t14-,16-,17+,18+,19+,20-,21-,23+,24-,25-,26+,27-/m1/s1 |
| SMILES |
C/C=C(C)C(=O)O[C@H]1O[C@H]2C[C@]3(CO3)C13[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]1C[C@H]4CCO[C@H]4O1)[C@H]3[C@@H]2O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga pyramidalis | Ref. |
|
|
zoom in
|
