| Name |
Rotundioside W
(-)-Rotundioside W |
| Formula |
C47H76O16 |
| Mw |
896.51333638 |
| CAS RN |
925673-74-1 |
| C_ID |
C00031225
, 
|
| InChIKey |
GWDRPRWADKYHLP-WSKMKGHJNA-N |
| InChICode |
InChI=1S/C47H76O16/c1-22-31(52)34(55)37(63-41-38(35(56)33(54)26(19-48)60-41)62-39-36(57)32(53)25(50)20-58-39)40(59-22)61-30-12-13-44(6)27(43(30,4)5)11-14-45(7)28(44)10-9-23-24-17-42(2,3)15-16-47(24,21-49)29(51)18-46(23,45)8/h9-10,22,25-41,48-57H,11-21H2,1-8H3/t22-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,44+,45-,46-,47-/m1/s1 |
| SMILES |
C1(CC[C@]2(C(=C3[C@@](C[C@H]2O)([C@]2([C@H](C=C3)[C@@]3([C@@H](CC2)C([C@H](CC3)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)C)(C)C)C)C)C)C1)CO)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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