(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-6-methyl(74Se)selanyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Base Information

• Chemical Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-6-methyl(74Se)selanyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS No.: 146883-72-9
• Molecular Formula: C28H48 O Se
• Molecular Weight: 474.6026
• DSSTox Substance ID: DTXSID00932953
• Wikidata: Q82908737
• Mol file: 146883-72-9.mol

Synonyms:(75)Se-methylcholesterol;(75)selenomethylcholesterol;(75Se)-6-selenomethylcholesterol;6-selenomethylcholesterol

Chemical Property of (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-6-methyl(74Se)selanyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 20.23000
• Density: g/cm³
• LogP: 7.46870
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 474.2929921
• Heavy Atom Count: 30
• Complexity: 653

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)O)C)[Se]C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CC[C@@H](C4)O)C)[74Se]C)C