| Name |
Cynarasaponin E |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
117804-11-2 |
| C_ID |
C00054724
|
| InChIKey |
UHQNVKKALWJDQL-MAGWOZCJSA-N |
| InChICode |
InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,38+,39+,40-,41-,42+/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]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[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 | Asteraceae | Cynara cardunculus  | Ref. |
|
|
zoom in
| Organism | Cynara cardunculus |
|---|
| Reference | Kikuchi, T. et al., Chem. Pharm. Bull., 1984, 32, 3906-3911 (isol, struct) |
|---|
|
