| Name |
Maniladiol 3-O-palmitate |
| Formula |
C46H80O3 |
| Mw |
680.61074642 |
| CAS RN |
161405-93-2 |
| C_ID |
C00051461
|
| InChIKey |
BPAWXSVOAOLSRP-NLMRRXDZNA-N |
| InChICode |
InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-27-28-44(7)36(42(39,4)5)26-29-45(8)37(44)25-24-34-35-32-41(2,3)30-31-43(35,6)38(47)33-46(34,45)9/h24,35-39,47H,10-23,25-33H2,1-9H3/t35-,36-,37+,38-,39-,43-,44-,45+,46+/m0/s1 |
| SMILES |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Achillea alexandri-regis | Ref. |
|
|
zoom in
| Organism | Achillea alexandri-regis |
|---|
| Reference | Kundakovic, et al., Chem Pharm Bull, 52, (2004), 1462 |
|---|
|
