| Name |
Calenduloside F 6'-O-n-butyl ester
(+)-Calenduloside F 6'-O-n-butyl ester
Taibaienoside IV |
| Formula |
C46H74O14 |
| Mw |
850.50785707 |
| CAS RN |
164990-98-1 |
| C_ID |
C00041410
, 
|
| InChIKey |
UMELIPOCPCVHGJ-PMBKRENQNA-N |
| InChICode |
InChI=1S/C46H74O14/c1-9-10-21-56-37(54)36-33(51)32(50)35(53)39(59-36)58-29-14-15-43(6)27(42(29,4)5)13-16-45(8)28(43)12-11-24-25-22-41(2,3)17-19-46(25,20-18-44(24,45)7)40(55)60-38-34(52)31(49)30(48)26(23-47)57-38/h11,25-36,38-39,47-53H,9-10,12-23H2,1-8H3/t25-,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,38-,39+,43-,44+,45+,46-/m0/s1 |
| SMILES |
CCCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Aralia taibaiensis | Ref. |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
|
|
zoom in
| Organism | Aralia taibaiensis |
|---|
| Reference | Tang, et al., ZYZ, 32, (1997), 78 |
|---|
|
