| Name |
Operculinic acid A
(-)-Operculinic acid A |
| Formula |
C46H82O24 |
| Mw |
1018.51960355 |
| CAS RN |
120583-62-2 |
| C_ID |
C00041711
, 
|
| InChIKey |
RMSDLBJXDTYRAX-YIQRDZMENA-N |
| InChICode |
InChI=1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-46-41(32(55)28(51)21(3)62-46)70-43-36(59)33(56)38(22(4)63-43)67-45-37(60)40(69-44-35(58)31(54)29(52)25(19-47)66-44)39(23(5)64-45)68-42-34(57)30(53)27(50)20(2)61-42/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)/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)C)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 murucoides | Ref. |
|
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