| Compound Information | |
|---|---|
| ID | 288 |
| TrivialName | Vinaginsenoside R11 |
| Type | C17-side chain varied |
| MF | C₄₁H₇₀O₁₄ |
| MolecularWeight | 786.997 |
| IUPACName | 2-[2-[[3,12-dihydroxy-17-(5-hydroxy-2,6,6-trimethyloxan-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| m/z | 831.4732 |
| Retention Time | 17.16 |
| CCS | 297.55 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | O[C@H]1CC[C@@]2(C)C([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@]7(C)CC[C@@H](O)C(C)(C)O7)C1(C)C |
| Canonical SMILES | CC1(C)OC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)CC23C)CCC1O |
| Source | PV |
| Functions | NT |
| Year | 1994 |
| References | |
| Structure |
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