| Name |
Rotundioside V
(-)-Rotundioside V |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
925673-73-0 |
| C_ID |
C00031224
, 
|
| InChIKey |
WQPVRECEROPAJJ-OHEAEWEYNA-N |
| InChICode |
InChI=1S/C47H76O17/c1-22-31(53)34(56)37(64-41-38(35(57)33(55)26(18-48)61-41)63-39-36(58)32(54)25(51)19-59-39)40(60-22)62-30-11-12-43(4)27(44(30,5)20-49)10-13-45(6)28(43)9-8-23-24-16-42(2,3)14-15-47(24,21-50)29(52)17-46(23,45)7/h8-9,22,25-41,48-58H,10-21H2,1-7H3/t22-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1 |
| SMILES |
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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