| Name |
Ipomotaoside A |
| Formula |
C71H116O21 |
| Mw |
1304.80091077 |
| CAS RN |
1255952-64-7 |
| C_ID |
C00056740
|
| InChIKey |
RWELBFDBNJXLOK-YWZIGFANSA-N |
| InChICode |
InChI=1S/C71H116O21/c1-8-11-14-16-18-19-23-27-34-41-52(72)86-61-47(5)83-70(66(58(61)78)89-55(75)45-44-50-37-31-29-32-38-50)91-63-49(7)82-68(60(80)64(63)87-53(73)42-35-26-21-17-15-12-9-2)90-62-48(6)84-71-67(59(62)79)88-54(74)43-36-28-24-20-22-25-33-40-51(39-30-13-10-3)85-69-65(92-71)57(77)56(76)46(4)81-69/h29,31-32,37-38,44-49,51,56-71,76-80H,8-28,30,33-36,39-43H2,1-7H3/b45-44+/t46-,47+,48+,49+,51+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68+,69+,70+,71?/m1/s1 |
| SMILES |
O=C1CCCCCCCCC[C@H](CCCCC)O[C@@]2([H])[C@]([C@@H](O)[C@@H](O)[C@@H](C)O2)([H])OC3[C@]([C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](OC(CCCCCCCCCCC)=O)[C@@H](O)[C@H]5OC(/C=C/C6=CC=CC=C6)=O)[C@@H](OC(CCCCCCCCC)=O)[C@H]4O)[C@H](C)O3)([H])O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
|
|
zoom in
| Organism | Ipomoea batatas |
|---|
| Reference | Yoshikawa, K. et al., J. Nat. Prod., 2010, 73, 1763-1766 (Ipomotaosides A,B) |
|---|
|
