3-hydroxy-5-oxo-5,6-secocholestan-6-al
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3-hydroxy-5-oxo-5,6-secocholestan-6-al
structure -
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CAS No:
81811-27-0
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Formula:
C27H46O3
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Chemical Name:
3-hydroxy-5-oxo-5,6-secocholestan-6-al
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Synonyms:
3-HOSCA;3-hydroxy-5-oxo-5,6-secocholestan-6-al;cholesterol secoaldehyde;ChSeco;DTXSID60231398;3-Hydroxy-1-oxo-5,6-secocholestan-6-al (3alpha,10alpha)-;5,6-Secocholestan-6-al, 3-hydroxy-1-oxo-, (3alpha,10alpha)-;2-[(1R,3aS,7aR)-5-[(1S,4R)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetaldehyde
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CAS No:
Computed Properties
Molecular Weight:418.7
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:418.34469533
Monoisotopic Mass:418.34469533
Topological Polar Surface Area:54.4
Heavy Atom Count:30
Complexity:613
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-hydroxy-5-oxo-5,6-secocholestan-6-al
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