| Name |
Saniculasaponin IV |
| Formula |
C54H84O23 |
| Mw |
1100.54033899 |
| CAS RN |
675830-88-3 |
| C_ID |
C00043888
, 
|
| InChIKey |
MZZDMGFZQNKFNR-WQUDBRGPNA-N |
| InChICode |
InChI=1S/C54H84O23/c1-11-22(2)45(69)77-43-42(66)54(21-71-23(3)56)25(18-49(43,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(64)41(54)65)73-48-39(76-47-35(62)33(60)32(59)27(19-55)72-47)37(36(63)38(75-48)44(67)68)74-46-34(61)31(58)26(57)20-70-46/h11-12,25-43,46-48,55,57-66H,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 |
C1[C@]2([C@@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1O)OC(=O)/C(=C\C)/C)(C)C)COC(=O)C)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
|
zoom in
| Organism | Sanicula elata var.chinensis Makino |
|---|
| Reference | Matsushita,J.Nat.Prod.,67,(2004),377 |
|---|
|
