| Compound Information | |
|---|---|
| ID | 165 |
| TrivialName | Pseudoginsenoside Rs1 |
| Type | PPT |
| MF | C₅₀H₈₄O₁₉ |
| MolecularWeight | 989.203 |
| IUPACName | [6-[[(8R,10R,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-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-6-yl]oxy]-3,4-dihydroxy-5-[(2S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)C[C@]5(C)C2C[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(OC2CC3(C)C(CC(O)C4C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O |
| Source | PJvm |
| Functions | NT |
| Year | 1986 |
| References | |
| Structure |
|