| Compound Information | |
|---|---|
| ID | 349 |
| TrivialName | Notoginsenoside E |
| Type | C17-side chain varied |
| MF | C₄₈H₈₂O₂₀ |
| MolecularWeight | 979.164000000001 |
| IUPACName | 2-[2-[[17-[(E)-6-hydroperoxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-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)(C/C=C/C(C)(OO)C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7 |
| Canonical SMILES | CC(C)(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)OO |
| Source | PN |
| Functions | NT |
| Year | 1997 |
| References | |
| Structure |
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