| Name |
Araliasaponin XII |
| Formula |
C53H86O22 |
| Mw |
1074.56107443 |
| CAS RN |
132284-03-8 |
| C_ID |
C00058368
|
| InChIKey |
DLCLRFFQRYLBCM-NOVAKKSMSA-N |
| InChICode |
InChI=1S/C53H86O22/c1-49(2)15-24-23(25(16-49)44(67)75-47-41(66)38(63)35(60)30(19-56)72-47)11-13-52(6)26(24)8-9-31-51(5)12-10-22(14-32(51)50(3,4)21-53(31,52)7)69-48-43(74-46-40(65)37(62)34(59)29(18-55)71-46)42(27(57)20-68-48)73-45-39(64)36(61)33(58)28(17-54)70-45/h8,22-25,27-43,45-48,54-66H,9-21H2,1-7H3/t22?,23?,24-,25?,27+,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43?,45+,46+,47+,48+,51-,52-,53-/m1/s1 |
| SMILES |
CC1(C)CC(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(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)C6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H]5C(C)(C)C[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Aralia chinensis | Ref. |
|
|
zoom in
| Organism | Aralia chinensis |
|---|
| Reference | T. Miyase et al., Chem. Abs., (1996), 125, 110259. |
|---|
|
