| Name |
Batatoside D |
| Formula |
C72H116O25 |
| Mw |
1380.78056926 |
| CAS RN |
1020196-92-2 |
| C_ID |
C00055077
|
| InChIKey |
QNYWJZITHSCJDQ-GMYURCAZSA-N |
| InChICode |
InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-60-45(8)86-69(58(82)62(60)91-51(75)40-39-47-33-28-26-29-34-47)95-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)94-59-44(7)87-71-64(57(59)81)92-50(74)38-32-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-71)55(79)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=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](C)CC)=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]6O)OC(/C=C/C7=CC=CC=C7)=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) |
|---|
|
