| Compound Information | |
|---|---|
| ID | 57 |
| TrivialName | Notoginsenoside Fe |
| Type | PPD |
| MF | C₄₇H₈₀O₁₇ |
| MolecularWeight | 917.14 |
| IUPACName | (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 961.5363 |
| Retention Time | 45.1 |
| CCS | 323.47 |
| 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)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](CO)O7)O6)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)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 | Anti-tumor(GJIC modulators), hemostatic, anti-oxidant, Anti-Obesity, metabolic benefits, Anti-inflammatory, anti-diabetic |
| Year | 1983 |
| References | |
| Structure |
|