| Compound Information | |
|---|---|
| ID | 337 |
| TrivialName | Quinquenoside L2 |
| Type | C17-side chain varied |
| MF | C₄₈H₈₂O₁₉ |
| MolecularWeight | 963.165 |
| IUPACName | 2-[4,5-dihydroxy-2-[[12-hydroxy-17-[(E)-7-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-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 | 1007.5422 |
| Retention Time | 19.13 |
| CCS | 333.51 |
| Adducts | [M−H+HCOOH]− |
| 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@@](CC/C=C(C)/CO)(C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7 |
| Canonical SMILES | CC(=CCCC(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)CO |
| Source | PQ |
| Functions | NT |
| Year | 2001 |
| References | |
| Structure |
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