| Name |
Calenduloside A |
| Formula |
C42H68O13 |
| Mw |
780.46599226 |
| CAS RN |
32725-74-9 |
| C_ID |
C00055344
|
| InChIKey |
WIGHCPZBXOGLKE-OMKAWYFNSA-N |
| InChICode |
InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)33(24(20-44)53-34)55-35-31(48)29(46)28(45)23(19-43)52-35/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,39-,40+,41+,42-/m0/s1 |
| SMILES |
CC(CC[C@]1(C(O)=O)CC[C@]23C)(C[C@@]1([H])C2=CC[C@]4([H])[C@]5(CC[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O6)CO)C(C)([C@]5([H])CC[C@]43C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Calendula officinalis |
|---|
| Reference | Takemoto, T. et al., Annalen, 1965, 685, 237-246 (Mubenins) |
|---|
|
