| 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 |
CCC(C)(OC(C)=O)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Tenthredinidae | Athalia rosae ruficornis | Ref. |
|
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