| Name |
Batatoside E |
| Formula |
C72H116O25 |
| Mw |
1380.78056926 |
| CAS RN |
1020197-01-6 |
| C_ID |
C00055074
|
| InChIKey |
BBYFVECWLCVADR-JRGRHJHSSA-N |
| InChICode |
InChI=1S/C71H114O25/c1-10-13-15-16-17-20-23-30-36-48(72)89-58-43(7)85-69(62(56(58)80)91-50(74)39-38-46-32-27-25-28-33-46)94-60-45(9)87-71(65(92-66(82)40(4)12-3)64(60)96-67-55(79)53(77)51(75)41(5)83-67)93-59-44(8)86-70-63(57(59)81)90-49(73)37-31-24-21-18-19-22-29-35-47(34-26-14-11-2)88-68-61(95-70)54(78)52(76)42(6)84-68/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t40-,41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1 |
| SMILES |
O=C1CCCCCCCCC[C@@H](O[C@]2([C@]([H])(O[C@]3([C@]([H])(O1)[C@@H]([C@H]([C@@H](O3)C)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4OC([C@H](CC)C)=O)O[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6OC(/C=C/C7=CC=CC=C7)=O)O)OC(CCCCCCCCCCC)=O)C)C)O)[H])[C@H]([C@H]([C@H](O2)C)O)O)[H])CCCCC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
|
|
zoom in
| Organism | Ipomoea batatas |
|---|
| Reference | Ono, M. et al., Chem. Pharm. Bull., 1992, 40, 1400-1403 (Operculin VI |
|---|
|
