| Name |
Cimicifugoside |
| Formula |
C37H54O11 |
| Mw |
674.36661257 |
| CAS RN |
66176-93-0 |
| C_ID |
C00003509
, 
|
| InChIKey |
XUJMHSCMPCZWOV-AGIDSTERNA-N |
| InChICode |
InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19+,20+,21+,23+,24-,25+,26-,27-,28+,29+,30+,32+,33-,34-,35-,36+,37+/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)C2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3OC4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)C1(C)OC41 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Cimicifuga simplex  | Ref. |
| Plantae | Ranunculaceae | Cimicifuga spp. | Ref. |
|
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