| Name |
Hydroxysaikosaponin A
Bupleuroside III |
| Formula |
C42H70O14 |
| Mw |
798.47655695 |
| CAS RN |
173559-73-4 |
| C_ID |
C00050787
|
| InChIKey |
WBZUTWKOBMHGCT-FXRUOGLWNA-N |
| InChICode |
InChI=1S/C42H70O14/c1-20-28(48)33(56-35-31(51)30(50)29(49)24(17-43)54-35)32(52)36(53-20)55-27-9-10-38(4)25(39(27,5)18-44)8-11-40(6)34(38)23(46)14-21-22-15-37(2,3)12-13-42(22,19-45)26(47)16-41(21,40)7/h14,20,22-36,43-52H,8-13,15-19H2,1-7H3/t20-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34-,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
| SMILES |
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3[C@H](O)C=C3[C@@H]5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum falcatum  | Ref. |
|
|
zoom in
| Organism | Bupleurum falcatum |
|---|
| Reference | Liu, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 27, (2002), 7 |
|---|
|
