| Compound Information | |
|---|---|
| ID | 17 |
| TrivialName | m-notoginsenoside R4 |
| Type | PPD |
| MF | C₆₂H₁₀₂O₃₀ |
| MolecularWeight | 1327.468 |
| IUPACName | NT |
| m/z | 1325.6394 |
| Retention Time | 23.89 |
| CCS | 372.78 |
| 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](COC(CC(O)=O)=O)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)(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)[C@H](CO[C@@H]9[C@@H](O)[C@H](O)[C@@H](O)CO9)O8)O7)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PG |
| Functions | NT |
| Year | 2007 |
| References | |
| Structure |
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