| Compound Information | |
|---|---|
| ID | 133 |
| TrivialName | Notoginsenoside R1 |
| Type | PPT |
| MF | C₄₇H₈₀O₁₈ |
| MolecularWeight | 933.139000000001 |
| IUPACName | (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 977.5317 |
| Retention Time | 8.68 |
| CCS | 321.11 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)CO4)[C@H](O)[C@@H](O)[C@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12C |
| Source | PN |
| Functions | antioxidant, phytoestrogen, neuroprotective agent, hemostatic, anti-inflammatory, Anti-apoptotic |
| Year | 1981 |
| References | |
| Structure |
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