| Name |
4-epi-Scopadulcic acid B |
| Formula |
C27H34O5 |
| Mw |
438.2406242 |
| CAS RN |
577992-08-6 |
| C_ID |
C00029527
, 
|
| InChIKey |
DQBAMWXMUCSBLO-QINUWWCONA-N |
| InChICode |
InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24-,25-,26-,27-/m0/s1 |
| SMILES |
C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@]1(C)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Scoparia dulcis L.  | Ref. |
|
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