| Name |
Saniculasaponin V |
| Formula |
C63H98O29 |
| Mw |
1318.61937717 |
| CAS RN |
675830-89-4 |
| C_ID |
C00043890
, 
|
| InChIKey |
LUZJSWAKGFAAQC-UDMGZRTDNA-N |
| InChICode |
InChI=1S/C63H98O29/c1-13-24(2)53(81)91-51-50(92-56-46(84-27(5)68)41(75)43(25(3)82-56)83-26(4)67)58(6,7)20-29-28-14-15-33-60(10)18-17-34(59(8,9)32(60)16-19-61(33,11)62(28,12)48(77)49(78)63(29,51)23-66)87-57-47(90-55-40(74)38(72)36(70)31(22-65)86-55)44(42(76)45(89-57)52(79)80)88-54-39(73)37(71)35(69)30(21-64)85-54/h13-14,25,29-51,54-57,64-66,69-78H,15-23H2,1-12H3,(H,79,80)/b24-13-/t25-,29-,30+,31+,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50-,51-,54-,55-,56-,57+,60-,61+,62-,63-/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]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)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)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1OC(=O)C)O)OC(=O)C)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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