Account (2S,3R,4S,5R,6R)-2-(((2S,3R,4R,5R,6S)-5-Acetoxy-4-hydroxy-2-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyr
- Catalog No. :
- ACHWIG890
- CAS No. :
- 174286-13-6
- Molecular Formula :
- C45H56O23
- Molecular Weight :
- 964.92
IUPAC Name:(2S,3R,4S,5R,6R)-2-(((2S,3R,4R,5R,6S)-5-acetoxy-4-hydroxy-2-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl)oxy)-6-(acetoxymethyl)-3,5-dihydroxytetrahydro-2H-pyran-4-yl acetate
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Product Information
| Product Name | (2S,3R,4S,5R,6R)-2-(((2S,3R,4R,5R,6S)-5-Acetoxy-4-hydroxy-2-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyr |
|---|---|
| IUPAC Name | (2S,3R,4S,5R,6R)-2-(((2S,3R,4R,5R,6S)-5-acetoxy-4-hydroxy-2-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl)oxy)-6-(acetoxymethyl)-3,5-dihydroxytetrahydro-2H-pyran-4-yl acetate |
| MDL No. | MFCD34470897 |
| Molecular Formula | C45H56O23 |
| Molecular Weight | 964.92 |
| SMILES | COC1=CC=C(C2=C(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C(=O)C3=C(O2)C(CC=C(C)C)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C3O)C=C1 |
| InChI Key | PERXHNHYVLJWIU-AFSXKRFNSA-N |
| Synonym | Epimedin K;4H-1-Benzopyran-4-one, 3-[[4-O-acetyl-6-deoxy-3-O-(2,6-di-O-acetyl-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- |
| CAS No. | 174286-13-6 |
Synthetic Route by SureRoute
2. ACHWIG890 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-4-(((2S,3R,4S,5S,6R)-3-Acetoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl acetate
3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one