| Name |
Simplexin |
| Formula |
C30H44O8 |
| Mw |
532.30361838 |
| CAS RN |
1404-62-2 |
| C_ID |
C00003482
, 
|
| InChIKey |
JAQJQYMDHBSCKO-ROZFTIHPNA-N |
| InChICode |
InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| SMILES |
C=C(C)[C@]12C[C@@H](C)[C@@]34OC(CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Thymelaeaceae | Pimelea simplex | Ref. |
| Plantae | Thymelaeaceae | Pimelea simplex. | Ref. |
| Plantae | Thymelaeaceae | Stellera chamaejasme L.  | Ref. |
| Plantae | Thymelaeaceae | Wikstroemia monticola | Ref. |
|
|
zoom in
| Organism | Pimelea simplex. |
|---|
| Reference | Roberts,Aust.J.Chem.,51,(1975),325 |
|---|
|
