[(1S,6R,7R,10R,11S,14S,16R)-7,11-dimethyl-6-[(2R)-6-methylheptan-2-yl]-18-oxo-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-14-yl] acetate
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[(1S,6R,7R,10R,11S,14S,16R)-7,11-dimethyl-6-[(2R)-6-methylheptan-2-yl]-18-oxo-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-14-yl] acetate
structure -
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CAS No:
16780-48-6
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Formula:
C29H46O4
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Chemical Name:
[(1S,6R,7R,10R,11S,14S,16R)-7,11-dimethyl-6-[(2R)-6-methylheptan-2-yl]-18-oxo-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-14-yl] acetate
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Synonyms:
3 beta-acetoxy-8 alpha,14 alpha-epoxy-5 alpha-cholestan-7-one;3 beta-acetoxy-8 alpha,14 alpha-epoxy-5 alpha-cholestan-7-one, (3beta,8alpha)-isomer;16780-48-6;DTXSID90937391;7-Oxo-8,14-epoxycholestan-3-yl acetate;3beta-Acetoxy-8alpha,14alpha-epoxy-5alpha-cholestan-7-one;(3beta,5alpha,8alpha)-3-(Acetyloxy)-8,14-epoxycholestan-7-one
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CAS No:
[(1S,6R,7R,10R,11S,14S,16R)-7,11-dimethyl-6-[(2R)-6-methylheptan-2-yl]-18-oxo-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-14-yl] acetate Basic Attributes
458.7 g/mol
458.33960994 g/mol
Computed Properties
Molecular Weight:458.7
XLogP3:6.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:458.33960994
Monoisotopic Mass:458.33960994
Topological Polar Surface Area:55.9
Heavy Atom Count:33
Complexity:820
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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