| Name |
Saniculasaponin II |
| Formula |
C54H84O23 |
| Mw |
1100.54033899 |
| CAS RN |
675830-86-1 |
| C_ID |
C00043887
, 
|
| InChIKey |
IVOGLEBQULOSAH-WQUDBRGPNA-N |
| InChICode |
InChI=1S/C54H84O23/c1-11-22(2)45(69)77-43-42(71-23(3)57)49(4,5)18-25-24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(66)54(25,43)21-56)73-48-39(76-47-35(63)33(61)32(60)27(19-55)72-47)37(36(64)38(75-48)44(67)68)74-46-34(62)31(59)26(58)20-70-46/h11-12,25-43,46-48,55-56,58-66H,13-21H2,1-10H3,(H,67,68)/b22-11-/t25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(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]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
|
zoom in
|
