| Compound Information | |
|---|---|
| ID | 601 |
| TrivialName | Chikusetsusaponin Ib |
| Type | OA |
| MF | C₄₇H₇₄O₁₈ |
| MolecularWeight | 927.091 |
| IUPACName | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyloxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | CC1(C)CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CCC5C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)O6)CC[C@]5(C)C4CC=C3C2C1 |
| Canonical SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Source | PJvm |
| Functions | anti-inflammatory, treatment of Alzheimer's |
| Year | 2011 |
| References | |
| Structure |
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