| Name |
Saniculasaponin XI |
| Formula |
C60H94O27 |
| Mw |
1246.5982478 |
| CAS RN |
675830-95-2 |
| C_ID |
C00043894
, 
|
| InChIKey |
IBEXNCUTYUSBBX-HVXILBQTNA-N |
| InChICode |
InChI=1S/C60H94O27/c1-24-45(78-25(2)65)46(79-26(3)66)44(76)52(77-24)87-49-50(80-27(4)67)60(23-64)29(18-55(49,5)6)28-12-13-34-57(9)16-15-36(56(7,8)33(57)14-17-58(34,10)59(28,11)19-35(60)68)84-53-47(41(73)38(70)31(21-62)82-53)86-54-48(42(74)39(71)32(22-63)83-54)85-51-43(75)40(72)37(69)30(20-61)81-51/h12,24,29-34,36-54,61-64,69-76H,13-23H2,1-11H3/t24-,29-,30+,31+,32+,33-,34+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45-,46+,47+,48+,49-,50-,51-,52-,53-,54-,57-,58+,59+,60-/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](O[C@H]2[C@H](OC(C)=O)[C@]3(CO)C(=O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@H]1C |
| 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 |
|---|
|
