11-Acetyl PVA

Base Information

• Chemical Name: 11-Acetyl PVA
• CAS No.: 80447-56-9
• Molecular Formula: C30H40O8
• Molecular Weight: 528.6338
• DSSTox Substance ID: DTXSID101001246
• Wikidata: Q76155953

Synonyms:11-Acetyl PVA;Prednisolone 17-valerate 11,21-diacetate;11,21-Bis(acetyloxy)-11-hydroxy-1,7-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione;80447-56-9;Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-11-hydroxy-1,7-((1-oxopentyl)oxy)-;DTXSID101001246;LS-118528;11,21-Bis(acetyloxy)-3,20-dioxopregna-1,4-dien-17-yl pentanoate

Chemical Property of 11-Acetyl PVA

Chemical Property:

• Vapor Pressure: 3.67E-15mmHg at 25°C
• Boiling Point: 617.2°Cat760mmHg
• Flash Point: 258.3°C
• Density: 1.21g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 528.27231823
• Heavy Atom Count: 38
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)OC(=O)C)C)C(=O)COC(=O)C
• Isomeric SMILES: CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)OC(=O)C)C)C(=O)COC(=O)C

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