| Compound Information | |
|---|---|
| ID | 499 |
| TrivialName | notoginsenoside NL-H3 |
| Type | C17-side chain varied |
| MF | C₅₈H₉₈O₂₇ |
| MolecularWeight | 1227.395 |
| IUPACName | NT |
| m/z | 1225.6189 |
| Retention Time | 14.96 |
| CCS | 358.85 |
| Adducts | [M−H]− |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]5(C)C1CC[C@]6(C)C5C[C@@H](O)C7[C@@]6(C)CCC7[C@@](CC[C@H](O)C(C)=C)(C)O[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 |
| Canonical SMILES | C=C(C)C(O)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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | NT |
| Year | 2020 |
| References | |
| Structure |
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