| Name |
Clerodendrin B |
| Formula |
C31H44O12 |
| Mw |
608.28327687 |
| CAS RN |
39877-08-2 |
| C_ID |
C00040920
, 
|
| InChIKey |
QJRGPOZOQFQNIW-QGKNBQCWNA-N |
| InChICode |
InChI=1S/C31H44O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-10,16,20-26,35H,8,11-15H2,1-7H3/t16-,20-,21-,22-,23+,24+,25+,26-,28+,29+,30+,31-/m1/s1 |
| SMILES |
C1[C@H]([C@@]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@@]1([C@H]([C@@H](C2)O)OC(=O)[C@](OC(=O)C)(C)CC)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 |
|---|
|
