| Name |
Calendulasterolide |
| Formula |
C28H44O3 |
| Mw |
428.32904527 |
| CAS RN |
845297-10-1 |
| C_ID |
C00054986
|
| InChIKey |
ZXSBHMINKCVCIN-LERFXYJISA-N |
| InChICode |
InChI=1S/C28H44O3/c1-16(2)7-6-8-17(3)20-11-12-22-19-9-10-21-18(4)24-13-14-28(21,26(30)31-24)23(19)15-25(29)27(20,22)5/h8,16,18-25,29H,6-7,9-15H2,1-5H3/b17-8-/t18-,19+,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1 |
| SMILES |
C/C([C@H]1CC[C@@]2([H])[C@]3([H])CC[C@@]([C@]4(CC5)[C@@]3([H])C[C@H](O)[C@@]21C)([H])[C@@H](C)[C@@]5([H])OC4=O)=C/CCC(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
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