Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11beta)-

Base Information

• Chemical Name: Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11beta)-
• CAS No.: 17652-24-3
• Molecular Formula: C₂₅H₃₂O₇
• Molecular Weight: 444.525
• DSSTox Substance ID: DTXSID30170149
• Nikkaji Number: J366.428G
• Wikidata: Q83040021

Synonyms:Prednisolone 17,21-diacetate;17652-24-3;Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11beta)-;[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;SCHEMBL2299113;DTXSID30170149;VWLTWMGSJXSKQJ-WEXULQILSA-N;AKOS030255018;11beta-hydroxy-17,21-diacetoxy-3,20-dioxo-1, 4-pregnadiene;17alpha,21-diacetoxy-11beta-hydroxy-1,4- pregnadiene-3,20-dione;17alpha,21-diacetoxy-11beta-hydroxy-1,4-pregnadiene-3,20-dione;acetic acid (8S,9S,10R,11S,13S,14S,17R)-17-(2-acetoxy-acetyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester

Chemical Property of Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11beta)-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 444.21480336
• Heavy Atom Count: 32
• Complexity: 933

Purity/Quality:

95+%HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)C

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