| Compound Information | |
|---|---|
| ID | 46 |
| TrivialName | Gypenoside IX |
| Type | PPD |
| MF | C₄₇H₈₀O₁₇ |
| MolecularWeight | 917.14 |
| IUPACName | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)C1CC[C@]4(C)C3C[C@@H](O)C5[C@@]4(C)CCC5[C@@](C)(O[C@@H]6[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO[C@@H]7[C@@H](O)[C@H](O)[C@@H](O)CO7)O6)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(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)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | Neuroinflammation Modulator, Anti-inflammatory, Neuroprotective |
| Year | 2008 |
| References | |
| Structure |
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