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Home > Encyclopedia > 3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane

3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane

3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane structure

3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane 

structure
  • CAS No:

    133331-36-9

  • Formula:

    C29H49IOS2

  • Chemical Name:

    3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane

  • Synonyms:

    3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane;Cholestan-6-one, 3-iodo-, cyclic 1,2-ethanediyl mercaptole, S-oxide, (3-beta,5-alpha,6-alpha)-;DTXSID30928081;3-Iodo-10,13-dimethyl-17-(6-methylheptan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-6,2"-[1,3]dithiolan]-1"-one

3-beta-Iodo-6,6-ethylene-alpha-sulfinyl-beta-thio-5-alpha-cholestane Basic Attributes

604.737

604.227

Characteristics

61.6

10

1.31±0.1 g/cm3(Predicted)

648.1±55.0 °C(Predicted)

Computed Properties

Molecular Weight:604.7
XLogP3:10
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:604.22696
Monoisotopic Mass:604.22696
Topological Polar Surface Area:61.6
Heavy Atom Count:33
Complexity:756
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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