| Name |
Ipomoeassin E
(-)-Ipomoeassin E |
| Formula |
C42H58O16 |
| Mw |
818.37248581 |
| CAS RN |
850894-55-2 |
| C_ID |
C00042625
, 
|
| InChIKey |
ZGJXOLWJZBARNR-ONXNQESFNA-N |
| InChICode |
InChI=1S/C42H58O16/c1-6-14-28-17-12-9-13-18-30(53-26(5)43)29(44)20-22-32(45)51-23-31-37(56-33(46)21-19-27-15-10-8-11-16-27)38(57-40(50)24(3)7-2)36(49)41(55-31)58-39-35(48)34(47)25(4)52-42(39)54-28/h7-8,10-11,15-16,19,21,25,28,30-31,34-39,41-42,47-49H,6,9,12-14,17-18,20,22-23H2,1-5H3/b21-19+,24-7+/t25-,28+,30+,31-,34+,35+,36-,37+,38-,39-,41+,42+/m1/s1 |
| SMILES |
C1[C@@H](C(=O)CCC(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](O[C@H](CCCC1)CCC)O[C@@H]([C@@H]([C@@H]3O)O)C)[C@@H]([C@H]([C@H]2OC(=O)/C=C/c1ccccc1)OC(=O)/C(=C/C)/C)O)OC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea squamosa | Ref. |
|
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