| Name |
Cynarasaponin I |
| Formula |
C41H64O14 |
| Mw |
780.42960675 |
| CAS RN |
117804-14-5 |
| C_ID |
C00054378
|
| InChIKey |
PMJRGIRMYJDHCH-AZWYAQMESA-N |
| InChICode |
InChI=1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)17-24(36)43)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31+,33-,34+,38-,39+,40+,41+/m0/s1 |
| SMILES |
CC1(C)C[C@H]2C3=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@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Cynara cardunculus  | Ref. |
|
|
zoom in
| Organism | Cynara cardunculus |
|---|
| Reference | Djerassi, C. et al., JACS, 1955, 77, 1825-1828 (Machaerinic acid, isol) |
|---|
|
