| Compound Information | |
|---|---|
| ID | 268 |
| TrivialName | Floranotoginsenoside B |
| Type | C17-side chain varied |
| MF | C₅₃H₉₀O₂₄ |
| MolecularWeight | 1111.279 |
| IUPACName | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5-hydroperoxy-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-6-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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1C([H])C[C@]5(C)C4C[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[C@@H]8[C@@H](O)[C@H](O)[C@@H](O)CO8)O7)CCC(OO)C(C)=C |
| Canonical SMILES | C=C(C)C(CCC(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)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)OO |
| Source | PN |
| Functions | NT |
| Year | 2009 |
| References | |
| Structure |
|