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Home > Encyclopedia > [[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] structure

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] 

structure
  • CAS No:

    112670-85-6

  • Formula:

    C39H72O2Si2

  • Chemical Name:

    [[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]

  • Synonyms:

    1H-Indene, 4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-, (1R,3aS,4E,7aR)-;(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-1H-indene;[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane];((1R,3S,E)-5-((E)-2-((1R,3aS,7aR)-7a-Methyl-1-((R)-6-Methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-Methylenecyclohexane-1,3-diyl)bis(oxy)bis(tert-butyldiMethylsilane)

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] Basic Attributes

629.16

628.507080

Characteristics

18.46000

15.43

0.92

598.8±50.0 °C(Predicted)

270.2±30.5 °C

1.492

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] Use and Manufacturing

A key intermediate for the synthesis of alpha calcidol

Computed Properties

Molecular Weight:629.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:628.50708460
Monoisotopic Mass:628.50708460
Topological Polar Surface Area:18.5
Heavy Atom Count:43
Complexity:1020
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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