| Name |
2,3-Diepisecasterone |
| Formula |
C28H46O4 |
| Mw |
446.33960996 |
| CAS RN |
167075-94-7 |
| C_ID |
C00055439
|
| InChIKey |
WDGGOKUICSKRHH-YLNAYWRASA-N |
| InChICode |
InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1 |
| SMILES |
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Secale cereale  | Ref. |
|
|
zoom in
| Organism | Secale cereale |
|---|
| Reference | Voigt, B. et al., JCS Perkin 1, 1995, 1495-1498 (synth) |
|---|
|
