Account (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-(4-isobutylphenyl)acetoxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACXXDZ107
- CAS No. :
- 164669-89-0
- Molecular Formula :
- C18H24O8
- Molecular Weight :
- 368.38
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-(4-isobutylphenyl)acetoxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-(4-isobutylphenyl)acetoxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-(4-isobutylphenyl)acetoxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C18H24O8 |
| Molecular Weight | 368.38 |
| SMILES | CC(C)CC1=CC=C(CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
| InChI Key | USRHMLCTGMMMCQ-RNGZQALNSA-N |
| Synonym | Ibufenac Acyl-β-D-Glucuronide;USRHMLCTGMMMCQ-UHFFFAOYSA-N;β-D-Glucopyranuronic acid, 1-[4-(2-methylpropyl)benzeneacetate];Ibufenac Impurity 1;Ibufenac Glucuronide;Ibufenac Acyl-β-D-Glucuronide;Ibufenac Acyl-Beta-D-Glucuronide |
| CAS No. | 164669-89-0 |
Synthetic Route by SureRoute
2. ACXXDZ107 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-(4-isobutylphenyl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(S)-Ibuprofen acyl-β-D-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((R)-2-(6-methoxynaphthalen-2-yl)propanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid