Account Bisphenol A-13C12 β-D-Glucuronide
- Catalog No. :
- ACYSIG762
- CAS No. :
- 1313730-08-3
- Molecular Formula :
- C21H24O8
- Molecular Weight :
- 416.32
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl-1,2,3,4,5,6-13C6)propan-2-yl)phenoxy-1,2,3,4,5,6-13C6)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Bisphenol A-13C12 β-D-Glucuronide |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl-1,2,3,4,5,6-13C6)propan-2-yl)phenoxy-1,2,3,4,5,6-13C6)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 416.32 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[13C]2=[13CH][13CH]=[13C](C(C)([13C]3=[13CH][13CH]=[13C](O)[13CH]=[13CH]3)C)[13CH]=[13CH]2)O1)O |
| InChI Key | KHZOXXYQSBJDHB-CJVPVOHPSA-N |
| Synonym | Bisphenol A-13C12 β-D-Glucuronide;Bisphenol A-13C12 2-D-Glucuronide;[13C12]-Bisphenol A β-D-Glucuronide;4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl β-D-glucopyranosiduronic acid-13C12;4-{2-[4-Hydroxy(13C6)phenyl]-2-propanyl}(13C6)phenyl β-D-glucopyranosiduronic acid;Bisphenol A-13C12 Beta-D-Glucuronide;Bisphenol A β-D-Glucuronide-13C12 |
| CAS No. | 1313730-08-3 |
Synthetic Route by SureRoute
2. ACYSIG762 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(p-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(4-(2-methylheptan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid