| Name |
Saponin C2 |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
77943-83-0 |
| C_ID |
C00057547
|
| InChIKey |
WLTXBTSNYDYARD-QBXCNKGMSA-N |
| InChICode |
InChI=1S/C47H76O17/c1-21(2)15-23-16-45(8,56)38-24-9-10-28-43(6)13-12-29(42(4,5)27(43)11-14-44(28,7)46(24)19-47(38,64-23)58-20-46)61-41-37(63-39-34(54)32(52)30(50)22(3)59-39)36(25(49)18-57-41)62-40-35(55)33(53)31(51)26(17-48)60-40/h15,22-41,48-56H,9-14,16-20H2,1-8H3/t22-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1 |
| SMILES |
CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[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@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Hovenia dulcis  | Ref. |
|
|
zoom in
| Organism | Hovenia dulcis |
|---|
| Reference | Kawai, K.-I. et al., Acta Cryst. B, 1974, 30, 2886-2888 (cryst struct) |
|---|
|
