Cholest-5-en-3-ol (3beta)-, 11-((1-oxo-2-propenyl)oxy)undecanoate

Base Information

• Chemical Name: Cholest-5-en-3-ol (3beta)-, 11-((1-oxo-2-propenyl)oxy)undecanoate
• CAS No.: 79679-30-4
• Deprecated CAS: 338462-83-2
• Molecular Formula: C41H68O5
• Molecular Weight: 640.9756
• DSSTox Substance ID: DTXSID401015498,DTXSID70955437
• Wikidata: Q76280273

Synonyms:Cholest-5-en-3-ol (3beta)-, 11-((1-oxo-2-propenyl)oxy)undecanoate;Cholest-5-en-3-ol (3beta)-, 3-(11-((1-oxo-2-propen-1-yl)oxy)undecanoate);79679-30-4;C41H68O4;C41-H68-O4;prop-2-enoyl 11-[(3S,8S,9R,10S,12R,13S,14R,15R,17S)-3,15-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl]undecanoate;DTXSID70955437;DTXSID401015498;11-(3,15-Dihydroxycholest-5-en-12-yl)undecanoic prop-2-enoic anhydride;338462-83-2

Chemical Property of Cholest-5-en-3-ol (3beta)-, 11-((1-oxo-2-propenyl)oxy)undecanoate

Chemical Property:

• Vapor Pressure: 5.64E-24mmHg at 25°C
• Boiling Point: 720.5°Cat760mmHg
• Flash Point: 207.3°C
• Density: 1.05g/cm³
• XLogP3: 11.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 19
• Exact Mass: 640.50667527
• Heavy Atom Count: 46
• Complexity: 1050

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CC(C2C1(C(CC3C2CC=C4C3(CCC(C4)O)C)CCCCCCCCCCC(=O)OC(=O)C=C)C)O
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@@H]1C[C@H]([C@H]2[C@]1([C@@H](C[C@@H]3[C@@H]2CC=C4[C@]3(CC[C@@H](C4)O)C)CCCCCCCCCCC(=O)OC(=O)C=C)C)O

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