| Compound Information | |
|---|---|
| ID | 343 |
| TrivialName | Quinquefoloside-Lc |
| Type | C17-side chain varied |
| MF | C₅₄H₉₂O₂₃ |
| MolecularWeight | 1109.307 |
| IUPACName | NT |
| m/z | 1107.5929 |
| Retention Time | 25.28 |
| CCS | 342.97 |
| Adducts | [M−H]− |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6[C@](C)(C/C=C/C(C)(OC)C)O[C@@H]7[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO[C@@H]8[C@@H](O)[C@H](O)[C@@H](O)CO8)O7 |
| Canonical SMILES | COC(C)(C)C=CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PQ |
| Functions | NT |
| Year | 2009 |
| References | |
| Structure |
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