CID 129627052

Base Information

• Chemical Name: CID 129627052
• CAS No.: 1338549-02-2
• Molecular Formula: C22H28O4
• Molecular Weight: 356.5
• Mol file: 1338549-02-2.mol

Synonyms:(2Z)-2-Hydroxy-2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde;1338549-02-2;(6alpha,11beta)-11,20-Dihydroxy-6-methyl-3-oxopregna-1,4,17(20)-trien-21-al

Chemical Property of CID 129627052

Chemical Property:

• PKA: 9.44±0.70(Predicted)
• Storage Temp.: Hygroscopic, -86°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 356.19875937
• Heavy Atom Count: 26
• Complexity: 760

Purity/Quality:

> 95% ^*data from raw suppliers

(6α,11β)-11,20-Dihydroxy-6-methyl-3-oxopregna-1,4,17(20)-trien-21-al ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(=C(C=O)O)C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC/C(=C(\C=O)/O)/[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C
• Uses: (6α,11β)-11,20-Dihydroxy-6-methyl-3-oxopregna-1,4,17(20)-trien-21-al is an impurity of Methylprednisolone( M325934). It can be used for freeze-dried powders for injections. (6α,11β)-11,20-Dihydroxy-6-methyl-3-oxopregna-1,4,17(20)-trien-21-al is an impurity of Methylprednisolone( M325934).

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