| Name |
Bugbanoside E
(-)-Bugbanoside E |
| Formula |
C37H54O10 |
| Mw |
658.37169795 |
| CAS RN |
340258-12-0 |
| C_ID |
C00032788
, 
|
| InChIKey |
UDOJTOJMVPPABO-DQLODTMXNA-N |
| InChICode |
InChI=1S/C37H54O10/c1-18(13-20(39)30-33(5,6)47-30)27-21(40)14-34(7)24-10-9-23-32(3,4)25(46-31-29(43)28(42)22(41)16-44-31)11-12-36(23)17-37(24,36)15-26(35(27,34)8)45-19(2)38/h10,18,22-23,25-31,41-43H,9,11-17H2,1-8H3/t18-,22+,23+,25+,26-,27+,28+,29-,30-,31+,34+,35-,36-,37+/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CCC(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)CC(=O)[C@H]([C@H](C)CC(=O)C3OC3(C)C)[C@@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Cimicifuga simplex WORMSK.  | Ref. |
|
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