| Name |
Batatoside C |
| Formula |
C72H116O25 |
| Mw |
1380.78056926 |
| CAS RN |
1020196-76-2 |
| C_ID |
C00055039
|
| InChIKey |
QQTWZLUMJDCETR-BCEZWRAKSA-N |
| InChICode |
InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-61-54(78)44(7)86-71(65(61)92-51(75)40-39-47-33-28-26-29-34-47)95-60-46(9)88-72(66(93-67(83)41(4)12-3)64(60)97-68-57(81)55(79)52(76)42(5)84-68)94-59-45(8)87-69-58(82)62(59)91-50(74)38-32-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)56(80)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54-,55+,56-,57+,58+,59-,60-,61+,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 |
| SMILES |
O=C1O[C@]([H])([C@H]([C@@H](O2)C)O[C@H](O[C@H]3C)[C@@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)OC(CCCCCCCCCCC)=O)OC(/C=C/C5=CC=CC=C5)=O)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6O)O)O)C)OC([C@@H](C)CC)=O)[C@@H](O)[C@]2([H])O[C@@]([C@H]([C@H]([C@H](O7)C)O)O)([H])[C@]7([H])O[C@@H](CCCCC)CCCCCCCCC1 |
| 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) |
|---|
|
