| Name |
Ilexpernoside H |
| Formula |
C47H76O18 |
| Mw |
928.50316563 |
| CAS RN |
1068611-88-0 |
| C_ID |
C00056410
|
| InChIKey |
DLXQOPJKFDKIKX-RVDIZQJFSA-N |
| InChICode |
InChI=1S/C47H76O18/c1-21-9-14-47(42(59)65-41-36(57)34(55)32(53)26(18-49)62-41)16-15-45(5)23(30(47)22(21)2)7-8-28-43(3)12-11-29(44(4,20-50)27(43)10-13-46(28,45)6)63-39-37(58)38(24(51)19-60-39)64-40-35(56)33(54)31(52)25(17-48)61-40/h7,21-22,24-41,48-58H,8-20H2,1-6H3/t21-,22+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,43+,44+,45-,46-,47+/m1/s1 |
| SMILES |
C[C@H]1[C@H](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(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex paraguariensis  | Ref. |
|
|
zoom in
| Organism | Ilex paraguariensis |
|---|
| Reference | Kikuchi, T. et al., Chem. Pharm. Bull., 1984, 32, 3906-3911 (isol, struct) |
|---|
|
