| Name |
Batataoside I |
| Formula |
C64H100O25 |
| Mw |
1268.65536875 |
| CAS RN |
1072028-60-4 |
| C_ID |
C00055030
|
| InChIKey |
OUCBSYJJVVNXMC-GLFRXGDPSA-N |
| InChICode |
InChI=1S/C64H100O25/c1-10-12-19-26-40-27-22-16-14-13-15-17-23-28-42(66)82-52-49(73)62(86-53-47(71)44(68)35(7)78-63(53)81-40)80-37(9)51(52)85-64-56(84-58(75)33(5)11-2)54(87-61-48(72)46(70)43(67)34(6)77-61)55(59(76)89-64)88-60-45(69)41(50(36(8)79-60)83-57(74)32(3)4)31-39(65)30-29-38-24-20-18-21-25-38/h18,20-21,24-25,29-30,32-37,40-41,43-56,59-64,67-73,76H,10-17,19,22-23,26-28,31H2,1-9H3/b30-29+/t33-,34-,35+,36-,37-,40-,41-,43-,44-,45+,46+,47-,48+,49+,50-,51-,52-,53+,54+,55+,56+,59+,60-,61-,62-,63-,64+/m0/s1 |
| SMILES |
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H](O)[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]2O[C@@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](CC(=O)/C=C/c3ccccc3)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC |
| 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., Phytochemistry, 1994, 36, 365-371
1998, 48, 837-841 (Stoloniferins) |
|---|
|
