| 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 |
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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC(=O)[C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)C)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)OC(=O)C)OC(=O)C)C)(C)C)CO)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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