| Compound Information | |
|---|---|
| ID | 43 |
| TrivialName | Gypenoside XIII |
| Type | PPD |
| MF | C₄₁H₇₀O₁₂ |
| MolecularWeight | 754.999 |
| IUPACName | (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-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-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| m/z | 799.4839 |
| Retention Time | 50.83 |
| CCS | 300.45 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC1(C)[C@@H](O[H])CC[C@@]2(C)C1CC[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](C)(O[C@@H]5[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO[C@@H]6[C@@H](O)[C@H](O)[C@@H](O)CO6)O5)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | Regulation of lipid metabolism |
| Year | 2008 |
| References | |
| Structure |
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