| Name |
Phytolaccasaponin N4 |
| Formula |
C48H74O21 |
| Mw |
986.47225943 |
| CAS RN |
1002337-06-5 |
| C_ID |
C00056794
|
| InChIKey |
ODARBAYTGJLCBX-WOSKTBFYSA-N |
| InChICode |
InChI=1S/C48H74O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7,22,24-40,49-51,53-60H,8-20H2,1-6H3/t22-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44-,45-,46+,47+,48-/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]([C@@]([C@]3([H])CC[C@]4(C)[C@@](CC=C5[C@]4(CC[C@]6(C(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)=O)[C@@]5([H])C[C@](C(OC)=O)(C)CC6)C)([H])[C@@]3(C)C8)(C)CO)C8=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
|
zoom in
| Organism | Phytolacca americana |
|---|
| Reference | Stout, G.H. et al., JACS, 1964, 86, 957-958 (Phytolaccagenin) |
|---|
|
