| Compound Information | |
|---|---|
| ID | 637 |
| TrivialName | Ginsenoside Ra0 |
| Type | PPD |
| MF | C₆₀H₁₀₂O₂₈ |
| MolecularWeight | 1271.448 |
| IUPACName | 2-[[6-[2-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 1315.6538 |
| Retention Time | 18.47 |
| CCS | 363.43 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | C[C@@]12[C@](CC[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]4([H])[C@@]3(C)CC[C@@H]4C(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)[C@H](CO)O6)O5)CC/C=C(C)/C)([H])C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC1 |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(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)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | NT |
| Year | 2018 |
| References | |
| Structure |
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