| Name |
iso-Dulcinol |
| Formula |
C27H36O4 |
| Mw |
424.26135964 |
| CAS RN |
578714-90-6 |
| C_ID |
C00030524
, 
|
| InChIKey |
GHPIXCFNRDYEIY-AQUKEEACNA-N |
| InChICode |
InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3/t18-,19+,20-,22-,25-,26-,27-/m0/s1 |
| SMILES |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Scoparia dulcis L.  | Ref. |
|
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