| Name |
Bugbanoside A |
| Formula |
C35H52O10 |
| Mw |
632.35604788 |
| CAS RN |
340723-68-4 |
| C_ID |
C00058388
|
| InChIKey |
KKXMHOBIFLYTGL-MZVJMKDJSA-N |
| InChICode |
InChI=1S/C35H52O10/c1-16-12-35(27-32(6,44-27)28(40)45-35)43-18-13-31(5)20-8-7-19-29(2,3)22(42-26-25(39)24(38)17(36)14-41-26)11-21(37)34(19)15-33(20,34)10-9-30(31,4)23(16)18/h8,16-19,21-28,36-40H,7,9-15H2,1-6H3/t16-,17-,18+,19+,21+,22+,23+,24+,25-,26+,27-,28?,30-,31+,32+,33+,34-,35-/m1/s1 |
| SMILES |
C[C@@H]1C[C@]2(OC(O)[C@@]3(C)O[C@@H]23)O[C@H]2C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Cimicifuga simplex  | Ref. |
|
|
zoom in
| Organism | Cimicifuga simplex |
|---|
| Reference | A. Kusano et al., Chem. Abs., (1998), 129, 161773. |
|---|
|
