| Name |
Secasterone |
| Formula |
C28H46O4 |
| Mw |
446.33960996 |
| CAS RN |
164321-81-7 |
| C_ID |
C00037797
, 
|
| InChIKey |
WDGGOKUICSKRHH-PTTPZAKZNA-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 |
[C@@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3=O)[C@H]3[C@@](CC1)([C@H](CC3)[C@@H]([C@@H](O)[C@@H]([C@@H](C)C(C)C)O)C)C)C)O2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Secale cereale L.  | Ref. |
|
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