| Name |
Calendulaglycoside E |
| Formula |
C42H66O14 |
| Mw |
794.44525682 |
| CAS RN |
38424-95-2 |
| C_ID |
C00055343
|
| InChIKey |
OFLDMHFCMNKHGN-CCCRQOMDSA-N |
| InChICode |
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)28(46)31(32(56-35)33(49)50)55-34-29(47)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30+,31-,32-,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)C(O)=O)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) |
|---|
|
