| 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 |
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]1OC(=O)/C(=C\C)/C)OC(=O)C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Sanicula elata var.chinensis Makino  | Ref. |
|
|
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