| Compound Information | |
|---|---|
| ID | 7 |
| TrivialName | Yesanchinoside J |
| Type | PPD |
| MF | C₆₁H₁₀₂O₂₈ |
| MolecularWeight | 1283.459 |
| IUPACName | [(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]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-[(2S,3R,4S,5S,6R)-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[C@@H]8[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO[C@@H]9[C@@H](O)[C@H](O)[C@@H](O)CO9)O8)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(COC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Source | PJ |
| Functions | NT |
| Year | 2002 |
| References | |
| Structure |
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