| Name |
Rotundioside X
(-)-Rotundioside X |
| Formula |
C48H80O17 |
| Mw |
928.53955113 |
| CAS RN |
925673-75-2 |
| C_ID |
C00031226
, 
|
| InChIKey |
GHGSMSLFPHINJZ-YWVROREINA-N |
| InChICode |
InChI=1S/C48H80O17/c1-22-31(53)34(56)37(65-42-38(35(57)33(55)27(19-49)62-42)64-40-36(58)32(54)25(51)20-60-40)41(61-22)63-30-11-12-45(6)28(44(30,4)5)10-13-46(7)39(45)26(59-9)16-23-24-17-43(2,3)14-15-48(24,21-50)29(52)18-47(23,46)8/h16,22,24-42,49-58H,10-15,17-21H2,1-9H3/t22-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
| SMILES |
CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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