11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)

Base Information

• Chemical Name: 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)
• CAS No.: 3545-59-3
• Molecular Formula: C30H42 O6
• Molecular Weight: 498.65088
• European Community (EC) Number: 222-591-6
• DSSTox Substance ID: DTXSID40956855
• Nikkaji Number: J216.187G
• Wikidata: Q82936975
• Mol file: 3545-59-3.mol

Synonyms:EINECS 222-591-6;3545-59-3;11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate);DTXSID40956855;C30H42O6;11,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-cyclopentylpropanoate;21-[(3-Cyclopentyl-1-oxopropyl)oxy]-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

Chemical Property of 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)

Chemical Property:

• Boiling Point: 650.7°Cat760mmHg
• Flash Point: 208.8°C
• PSA: 100.90000
• Density: 1.22g/cm³
• LogP: 4.32490
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 498.29813906
• Heavy Atom Count: 36
• Complexity: 991

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC5CCCC5)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC5CCCC5)O