| 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 |
O[C@@H]([C@@H](CO1)O[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O[C@@H]2CO)[C@@H](O)[C@@H]1O[C@H]3[C@@H](O)C[C@@]4(C)[C@](CC[C@]5(C)[C@]4([H])[C@H](OC)C=C6[C@]5(CC[C@]7(C(O)=O)[C@@]6([H])C[C@](C(OC)=O)(C)CC7)C)([H])[C@]3(C)CO |
| 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) |
|---|
|
