| Name |
Phytolaccasaponin N3 |
| Formula |
C43H68O17 |
| Mw |
856.44565075 |
| CAS RN |
1002337-05-4 |
| C_ID |
C00056793
|
| InChIKey |
DSIITKWHWXIOEY-JRULUGAOSA-N |
| InChICode |
InChI=1S/C43H68O17/c1-38(37(54)56-7)10-12-43(36(52)53)13-11-41(4)20(21(43)15-38)14-23(55-6)32-39(2)16-22(46)33(40(3,19-45)26(39)8-9-42(32,41)5)60-34-30(50)28(48)25(18-57-34)59-35-31(51)29(49)27(47)24(17-44)58-35/h14,21-35,44-51H,8-13,15-19H2,1-7H3,(H,52,53)/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,38-,39-,40-,41+,42+,43-/m0/s1 |
| SMILES |
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C[C@@H](OC)[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
|
zoom in
| Organism | Phytolacca americana |
|---|
| Reference | Yang-Hua, Y.Phytochemistry, 1991, 30, 4179-4181 (Esculentagenin, Esculentoside M) |
|---|
|
