| Name |
Clerodendrin E |
| Formula |
C30H40O12 |
| Mw |
592.25197674 |
| CAS RN |
220858-40-2 |
| C_ID |
C00040922
, 
|
| InChIKey |
ZUSMZSMVDGGWAL-DEVZUTMTNA-N |
| InChICode |
InChI=1S/C30H40O12/c1-15-10-23(39-17(3)32)29(13-37-16(2)31)21(28(15,7)22-11-19-8-9-36-25(19)40-22)12-20(34)24(30(29)14-38-30)41-26(35)27(5,6)42-18(4)33/h8-10,19-25,34H,11-14H2,1-7H3/t19-,20-,21-,22+,23+,24+,25-,28+,29+,30-/m1/s1 |
| SMILES |
C1=C([C@@]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@@]1([C@H]([C@@H](C2)O)OC(=O)C(C)(C)OC(=O)C)OC1)COC(=O)C)([C@H]1O[C@@H]2[C@@H](C1)C=CO2)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Tenthredinidae | Athalia rosae ruficornis | Ref. |
|
|
zoom in
| Organism | Athalia rosae ruficornis |
|---|
| Reference | Kawai,Phytochem.,49,(1998),1975 |
|---|
|
