| Name |
Cynarasaponin C |
| Formula |
C42H66O14 |
| Mw |
794.44525682 |
| CAS RN |
117804-09-8 |
| C_ID |
C00049565
, 
|
| InChIKey |
HLVIRJDEEXUEKR-XIMSASSNNA-N |
| InChICode |
InChI=1S/C42H66O14/c1-19-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h8,19-20,22-33,35-36,43-49H,9-18H2,1-7H3,(H,50,51)/t19-,20+,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32-,33+,35+,36-,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)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex kudincha | Ref. |
| Plantae | Asteraceae | Cynara cardunculus  | Ref. |
|
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