| Name |
Xiebaisaponin I |
| Formula |
C43H68O17 |
| Mw |
856.44565075 |
| CAS RN |
123941-67-3 |
| C_ID |
C00057831
|
| InChIKey |
FYSZWRUDGKDPLE-YIAMSBTQSA-N |
| InChICode |
InChI=1S/C43H68O17/c1-18-5-10-43(56-14-18)19(2)30-28(60-43)13-23-21-12-25(44)24-11-20(6-8-41(24,3)22(21)7-9-42(23,30)4)57-40-36(52)33(49)37(59-39-35(51)32(48)27(46)16-54-39)29(58-40)17-55-38-34(50)31(47)26(45)15-53-38/h18-24,26-40,45-52H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-/m1/s1 |
| SMILES |
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium chinense  | Ref. |
|
|
zoom in
| Organism | Allium chinense |
|---|
| Reference | Akahori, A. et al., Chem. Pharm. Bull., 1965, 13, 545 |
|---|
|
