| Name |
Reticulataursenoside |
| Formula |
C49H70O15 |
| Mw |
898.47147157 |
| CAS RN |
1236770-06-1 |
| C_ID |
C00056966
|
| InChIKey |
CIGMCDVLUAGAMP-MPDLBWHDSA-N |
| InChICode |
InChI=1S/C49H70O15/c1-23-11-14-46(5)17-18-48(7)26(34(46)24(23)2)20-29(53)41-47(6)15-13-33(45(3,4)32(47)12-16-49(41,48)8)63-43-39(58)37(56)40(30(21-50)61-43)64-44-38(57)36(55)35(54)31(62-44)22-60-42(59)25-9-10-27(51)28(52)19-25/h9-10,12,19-20,23-24,30-31,33-41,43-44,50-52,54-58H,11,13-18,21-22H2,1-8H3/t23-,24+,30-,31-,33+,34+,35-,36+,37-,38-,39-,40-,41-,43+,44+,46-,47+,48-,49-/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](COC(=O)c8ccc(O)c(O)c8)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)C5=CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus reticulata  | Ref. |
|
|
zoom in
| Organism | Citrus reticulata |
|---|
| Reference | Khan, M.A. et al., Nat. Prod. Res., 2010, 24, 610-620 (Reticulataursenoside) |
|---|
|
