| Name |
Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate |
| Formula |
C34H36O7 |
| Mw |
556.2461035 |
| CAS RN |
59086-90-7 |
| C_ID |
C00003440
, 
|
| InChIKey |
GIMKEHNOTHXONN-SPYDNZJKNA-N |
| InChICode |
InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24-,25-,26-,27-,29+,33-,34+/m1/s1 |
| SMILES |
CC1=C[C@]23C(=O)[C@@H](C=C(COC(=O)c4ccccc4)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Euphorbiaceae | Croton tiglium L.  | Ref. |
| Plantae | Euphorbiaceae | Euphorbia escula | Ref. |
| Plantae | Euphorbiaceae | Euphorbia esula | Ref. |
|
|
zoom in
| Organism | Croton tiglium L. |
|---|
| Reference | Chan,J.Am.Chem.Soc.,97,(1975),4437 |
|---|
|
