| Name |
Calendulaglycoside C 6'-butyl ester |
| Formula |
C52H84O19 |
| Mw |
1012.5606805 |
| CAS RN |
917988-47-7 |
| C_ID |
C00054776
|
| InChIKey |
MGYFZCUYTCZBNN-CUWBYJHPSA-N |
| InChICode |
InChI=1S/C52H84O19/c1-9-10-21-65-42(63)41-38(61)40(69-43-36(59)34(57)32(55)27(23-53)66-43)39(62)45(70-41)68-31-14-15-49(6)29(48(31,4)5)13-16-51(8)30(49)12-11-25-26-22-47(2,3)17-19-52(26,20-18-50(25,51)7)46(64)71-44-37(60)35(58)33(56)28(24-54)67-44/h11,26-41,43-45,53-62H,9-10,12-24H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,38-,39+,40-,41-,43-,44-,45+,49-,50+,51+,52-/m0/s1 |
| SMILES |
[H][C@@]1(C2=CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](C(OCCCC)=O)O5)C(C)(C)[C@]4([H])CC[C@]37C)CC(C)(C)CC[C@]1(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)=O)CC[C@]27C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Calendula officinalis |
|---|
| Reference | Kochetkov, N.K. et al., Izv. Akad. Nauk SSSR, Ser. Khim., 1963, 1398 (Aralosides) |
|---|
|
