| 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 |
C1[C@@H](C([C@H]2[C@]3(C1)[C@]1(C(=CC2)[C@]2([C@]([C@@H](C1)OC(=O)C)([C@@H]1[C@@H](O[C@@]4(C[C@H]1C)O[C@@H]([C@]1([C@@H]4O1)C)O)C2)C)C)C3)(C)C)O[C@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Cimicifuga simplex  | Ref. |
| Plantae | Ranunculaceae | Cimicifuga spp. | Ref. |
|
|
zoom in
| Organism | Cimicifuga spp. |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53 |
|---|
|
