| Compound Information | |
|---|---|
| ID | 323 |
| TrivialName | Vinaginsenoside R8 |
| Type | C17-side chain varied |
| MF | C₄₈H₈₂O₁₉ |
| MolecularWeight | 963.165 |
| IUPACName | 2-[4,5-dihydroxy-2-[[12-hydroxy-17-[(E)-6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-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-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 1007.5412 |
| Retention Time | 16.01 |
| CCS | 332.68 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC(O)(C)/C=C/C[C@](C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C2CC[C@@]3(C)[C@]4(C)CC([H])C5C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC[C@]5(C)C4C[C@@H](O)C32 |
| Canonical SMILES | CC(C)(O)C=CCC(C)(OC1OC(CO)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 |
| Source | PV |
| Functions | NT |
| Year | 1994 |
| References | |
| Structure |
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