| Compound Information | |
|---|---|
| ID | 534 |
| TrivialName | chikusetsusaponin FT2 |
| Type | Miscellaneous |
| MF | C₅₉H₉₈O₂₇ |
| MolecularWeight | 1239.406 |
| IUPACName | NT |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | C[C@@]12C(C([H])C[C@]([C@@]3(C)C4C([C@@](CC/C=C(C)/C)(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)CC3)(C)C2CC4=O)C(C)(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]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)[C@H](O)CO8)O7)CC1 |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PJ |
| Functions | NT |
| Year | 2012 |
| References | |
| Structure |
|