| Compound Information | |
|---|---|
| ID | 6 |
| TrivialName | Quinquenoside III |
| Type | PPD |
| MF | C₅₀H₈₄O₁₉ |
| MolecularWeight | 989.203000000001 |
| IUPACName | [3,4-dihydroxy-6-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate |
| 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](COC(C)=O)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC/C=C(C)/C |
| Canonical SMILES | CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Source | PQ |
| Functions | NT |
| Year | 1998 |
| References | |
| Structure |
|