| Name |
Operculinic acid B |
| Formula |
C46H82O25 |
| Mw |
1034.51451817 |
| CAS RN |
126572-20-1 |
| C_ID |
C00041712
, 
|
| InChIKey |
LJJIBKCHKKEYAS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C46H82O25/c1-5-6-12-15-23(16-13-10-8-7-9-11-14-17-26(49)50)65-46-41(32(56)29(53)25(19-48)67-46)71-43-36(60)33(57)38(21(3)63-43)68-45-37(61)40(70-44-35(59)31(55)28(52)24(18-47)66-44)39(22(4)64-45)69-42-34(58)30(54)27(51)20(2)62-42/h20-25,27-48,51-61H,5-19H2,1-4H3,(H,49,50)/t20-,21-,22-,23-,24+,25+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46-/m0/s1 |
| SMILES |
[C@@H]1([C@H]([C@H]([C@H](O[C@@H]1O[C@@H](CCCCC)CCCCCCCCCC(=O)O)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea stans | Ref. |
|
|
zoom in
| Organism | Ipomoea stans |
|---|
| Reference | Pereda-Miranda,J.Nat.Prod.,69,(2006),1469 |
|---|
|
