Account (S)-4-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one
- Catalog No. :
- ACXBCD137
- CAS No. :
- 62043-53-2
- Molecular Formula :
- C21H30O9
- Molecular Weight :
- 426.46
IUPAC Name:(S)-4-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one
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Product Information
| Product Name | (S)-4-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one |
|---|---|
| IUPAC Name | (S)-4-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one |
| MDL No. | MFCD20274990 |
| Molecular Formula | C21H30O9 |
| Molecular Weight | 426.46 |
| SMILES | CC1=C(O)C2=C(C(=O)[C@](C)(CO)C2)C(C)=C1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | CHKURBWNBQWBGM-VXYBAJBHSA-N |
| Synonym | Onitisin 2'-O-glucoside;1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-4-hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-, (S)- (9CI) |
| CAS No. | 62043-53-2 |
Synthetic Route by SureRoute
2. ACXBCD137 Molecular Building Block Synthetic Route
(R)-4-Hydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-6-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-2,3-dihydro-1H-inden-1-one
Onitin 2'-O-glucoside
(S)-4-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2,3-dihydro-1H-inden-1-one