(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-cyclopentyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile

Base Information

• Chemical Name: (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-cyclopentyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
• CAS No.: 53962-58-6
• Molecular Formula: C27H39NO2
• Molecular Weight: 409.6041
• DSSTox Substance ID: DTXSID40968776
• Wikidata: Q82951669

Synonyms:16 alpha-cyano-3 beta-hydroxypregn-5-en-20-one cyclopentyl ether;16-cyano-3-hydroxypregn-5-en-20-one cyclopentyl ether

Chemical Property of (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-cyclopentyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile

Chemical Property:

• Vapor Pressure: 6.21E-12mmHg at 25°C
• Boiling Point: 544.9°Cat760mmHg
• Flash Point: 234.9°C
• Density: 1.1g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 409.298079487
• Heavy Atom Count: 30
• Complexity: 786

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCC5)C)C)C#N
• Isomeric SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCC5)C)C)C#N

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