| Name |
Schidigerasaponin B1 |
| Formula |
C44H68O18 |
| Mw |
884.44056537 |
| CAS RN |
266997-32-4 |
| C_ID |
C00057302
|
| InChIKey |
CIJLYOWWFYEYAN-RGDJIAOQSA-N |
| InChICode |
InChI=1S/C44H68O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h19-28,30-41,45-47,49-54H,1,5-17H2,2-4H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+/m0/s1 |
| SMILES |
C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Agavaceae | Yucca schidigera | Ref. |
|
|
zoom in
| Organism | Yucca schidigera |
|---|
| Reference | Miyakoshi, M. et al., J. Nat. Prod., 2000, 63, 332-338 (Yucca schidigera constits) |
|---|
|
