| Name |
Batataoside III |
| Formula |
C65H102O25 |
| Mw |
1282.67101881 |
| CAS RN |
1146541-51-6 |
| C_ID |
C00055028
|
| InChIKey |
MRKUQLHFWQTVFD-JBTAXGQXSA-N |
| InChICode |
InChI=1S/C65H102O25/c1-11-14-21-28-41-29-24-18-16-15-17-19-25-30-42(66)84-56-49(73)51(37(8)80-64(56)89-55-47(71)45(69)36(7)78-63(55)82-41)87-65-58(86-60(76)34(5)13-3)57(90-61-48(72)46(70)44(68)35(6)77-61)53(39(10)81-65)88-62-50(74)54(52(38(9)79-62)85-59(75)33(4)12-2)83-43(67)32-31-40-26-22-20-23-27-40/h20,22-23,26-27,31-39,41,44-58,61-65,68-74H,11-19,21,24-25,28-30H2,1-10H3/b32-31+/t33-,34-,35-,36+,37-,38-,39-,41-,44-,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,61-,62-,63-,64-,65-/m0/s1 |
| SMILES |
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]1O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)/C=C/c4ccccc4)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]1OC(=O)[C@@H](C)CC)[C@H]2O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
|
|
zoom in
| Organism | Ipomoea batatas |
|---|
| Reference | Noda, N. et al., Chem. Pharm. Bull., 1992, 40, 3163-3168 (Simonins II-V) |
|---|
|
