| Name |
Simonin IV |
| Formula |
C68H120O24 |
| Mw |
1320.81695476 |
| CAS RN |
151310-53-1 |
| C_ID |
C00031382
, 
|
| InChIKey |
PIPJWVLVHFNOQG-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H120O24/c1-9-12-15-17-19-20-24-28-32-37-46(69)86-57-42(6)82-65(55(78)53(57)76)90-59-44(8)84-68(63(88-48(71)39-34-27-22-18-16-13-10-2)62(59)92-64-54(77)51(74)49(72)40(4)80-64)89-58-43(7)83-67-61(56(58)79)87-47(70)38-33-29-25-21-23-26-31-36-45(35-30-14-11-3)85-66-60(91-67)52(75)50(73)41(5)81-66/h40-45,49-68,72-79H,9-39H2,1-8H3/t40-,41-,42+,43-,44+,45-,49-,50-,51-,52+,53+,54-,55-,56+,57+,58-,59+,60+,61-,62-,63+,64-,65-,66+,67+,68-/m0/s1 |
| SMILES |
C1CCCCCCC[C@@H](O[C@@H]2[C@H](O[C@@H]3[C@@H](OC(=O)C1)[C@@H]([C@H]([C@@H](O3)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)CCCCCCCCC)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)OC(=O)CCCCCCCCCCC)C)C)O)[C@@H]([C@H]([C@@H](O2)C)O)O)CCCCC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea batatas  | Ref. |
|
|
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