| Name |
Ingenol 3-hexadecanoate |
| Formula |
C36H58O6 |
| Mw |
586.42333958 |
| CAS RN |
52557-26-3 |
| C_ID |
C00049380
, 
|
| InChIKey |
DOSPRDHNGNPKKJ-NZLPUSMRNA-N |
| InChICode |
InChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-33-24(2)22-35-25(3)20-28-30(34(28,4)5)27(32(35)40)21-26(23-37)31(39)36(33,35)41/h21-22,25,27-28,30-31,33,37,39,41H,6-20,23H2,1-5H3/t25-,27+,28-,30+,31-,33+,35+,36+/m1/s1 |
| SMILES |
C1(=C[C@H]2[C@H]3[C@@H](C[C@H]([C@]4([C@]([C@@H]1O)([C@H](C(=C4)C)OC(=O)CCCCCCCCCCCCCCC)O)C2=O)C)C3(C)C)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Euphorbiaceae | Euphorbia lathyris  | Ref. |
|
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