Stigmastenone

Base Information

• Chemical Name: Stigmastenone
• CAS No.: 4736-55-4
• Molecular Formula: C₂₉H₄₈O
• Molecular Weight: 412.7
• NSC Number: 63551
• UNII: 85907B49EV
• DSSTox Substance ID: DTXSID601345744
• Metabolomics Workbench ID: 199490
• Mol file: 4736-55-4.mol

Synonyms:Stigmastenone;5beta-Stigmast-22-en-3-one;NSC-63551;4736-55-4;UNII-85907B49EV;NSC63551;85907B49EV;(5beta,22E)-Stigmast-22-en-3-one;24beta-Ethyl-5beta-cholest-22-en-3-one;Stigmast-22-en-3-one, (5beta,22E)-;(5R,8R,9S,10S,13R,14S,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethylhexadecahydro-3H-cyclopenta(a)phenanthren-3-one;(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-Ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one;(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one;(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;DTXSID601345744;5.BETA.-STIGMAST-22-EN-3-ONE;(5.BETA.,22E)-STIGMAST-22-EN-3-ONE;A840582;STIGMAST-22-EN-3-ONE, (5.BETA.,22E)-;Q27269623;24.BETA.-ETHYL-5.BETA.-CHOLEST-22-EN-3-ONE

Chemical Property of Stigmastenone

Chemical Property:

• Boiling Point: 490.4°Cat760mmHg
• Flash Point: 204.1°C
• Density: 0.953g/cm³
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 412.370516150
• Heavy Atom Count: 30
• Complexity: 661

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C(C)C
• Isomeric SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C