| Name |
Cloversaponin III |
| Formula |
C42H64O16 |
| Mw |
824.419436 |
| CAS RN |
143519-24-8 |
| C_ID |
C00055200
|
| InChIKey |
MRCUXANWZBIWNS-QBOCVKNWSA-N |
| InChICode |
InChI=1S/C42H64O16/c1-37(36(53)54)15-20-19-7-8-23-39(3)11-10-25(40(4,18-44)22(39)9-12-42(23,6)41(19,5)14-13-38(20,2)24(45)16-37)56-35-32(29(49)28(48)31(57-35)33(51)52)58-34-30(50)27(47)26(46)21(17-43)55-34/h7,20-23,25-32,34-35,43-44,46-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21+,22+,23+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37-,38+,39-,40+,41+,42+/m0/s1 |
| SMILES |
C[C@@]1(C(=O)O)CC(=O)[C@]2(C)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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Trifolium repens  | Ref. |
|
|
zoom in
| Organism | Trifolium repens |
|---|
| Reference | Sakamoto, S. et al., Phytochemistry, 1992, 31, 1773-1777 (Cloversaponins II,III and V) |
|---|
|
