| Name |
Phytolaccasaponin N2 |
| Formula |
C49H78O22 |
| Mw |
1018.49847418 |
| CAS RN |
1002337-04-3 |
| C_ID |
C00056792
|
| InChIKey |
IKEWLGVYXICOOS-CZPXETBFSA-N |
| InChICode |
InChI=1S/C49H78O22/c1-44(42(62)65-7)10-12-49(43(63)71-41-36(61)33(58)30(55)26(18-51)68-41)13-11-47(4)21(22(49)15-44)14-24(64-6)37-45(2)16-23(53)38(46(3,20-52)28(45)8-9-48(37,47)5)70-39-34(59)31(56)27(19-66-39)69-40-35(60)32(57)29(54)25(17-50)67-40/h14,22-41,50-61H,8-13,15-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,44-,45-,46-,47+,48+,49-/m0/s1 |
| SMILES |
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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) |
|---|
|
