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Rac Ketoprofen Acyl-beta-D-Glucuronide
[CAS# 76690-94-3]

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Identification
Name Rac Ketoprofen Acyl-beta-D-Glucuronide
Synonyms (2S,3S,4S,5R,6S)-6-[2-[3-(Benzoyl)Phenyl]Propanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[1-Oxo-2-[3-(Oxo-Phenylmethyl)Phenyl]Propoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(3-Phenylcarbonylphenyl)Propanoyloxy]Oxane-2-Carboxylic Acid
Molecular Structure CAS#: 76690-94-3, Rac Ketoprofen Acyl-beta-D-Glucuronide
Molecular Formula C22H22O9
Molecular Weight 430.41
CAS Registry Number 76690-94-3
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(=O)C(C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)C
InChI 1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1
InChIKey PBTXSZZKPHBHMA-LYFYOZKASA-N
Properties
Density 1.484g/cm3 (Cal.)
Boiling point 660.97°C at 760 mmHg (Cal.)
Flash point 230.498°C (Cal.)
Market Analysis Reports
List of Reports Available for Rac Ketoprofen Acyl-beta-D-Glucuronide
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