| Name |
Scammonic acid A |
| Formula |
C40H72O20 |
| Mw |
872.46169474 |
| CAS RN |
131831-21-5 |
| C_ID |
C00041853
, 
|
| InChIKey |
DGBZNFIHNGAZOG-OBEILNNMNA-N |
| InChICode |
InChI=1S/C40H72O20/c1-5-6-12-15-22(16-13-10-8-7-9-11-14-17-24(42)43)56-39-35(29(48)26(45)20(3)54-39)60-40-36(30(49)27(46)23(18-41)57-40)59-38-33(52)31(50)34(21(4)55-38)58-37-32(51)28(47)25(44)19(2)53-37/h19-23,25-41,44-52H,5-18H2,1-4H3,(H,42,43)/t19-,20-,21+,22+,23-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35-,36-,37+,38+,39+,40+/m1/s1 |
| SMILES |
CCCCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea orizabensis  | Ref. |
|
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