| Compound Information | |
|---|---|
| ID | 89 |
| TrivialName | Ginsenoside Rk2 |
| Type | PPD |
| MF | C₃₆H₆₀O₇ |
| MolecularWeight | 604.869 |
| 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-(6-methylhepta-1,5-dien-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 | 649.4322 |
| Retention Time | 57.06 |
| CCS | 285.84 |
| Adducts | [M−H+HCOOH]− |
| 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)[C@@]1([H])CC[C@]4(C)[C@]3([H])C[C@@H](O)[C@]5([H])[C@@]4(C)CC[C@@H]5C(CC/C=C(C)/C)=C |
| Canonical SMILES | C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | Other |
| Functions | Anti-inflammatory, treatment for Ulcerative Colitis, hepatoprotective agent |
| Year | 2002 |
| References | |
| Structure |
|