3beta-Acetoxyandrost-5-ene

Base Information

• Chemical Name: 3beta-Acetoxyandrost-5-ene
• CAS No.: 13067-44-2
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.484
• DSSTox Substance ID: DTXSID501294706
• Nikkaji Number: J903.636I
• Mol file: 13067-44-2.mol

Synonyms:3beta-acetoxyandrost-5-ene;13067-44-2;SCHEMBL3248734;DTXSID501294706;Androst-5-en-3-ol, 3-acetate, (3beta)-

Chemical Property of 3beta-Acetoxyandrost-5-ene

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 316.240230259
• Heavy Atom Count: 23
• Complexity: 536

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3CCC4(CCCC4C3CC=C2C1)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4(CCC[C@H]4[C@@H]3CC=C2C1)C)C