(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Names

[ CAS No. ]:
111687-67-3

[ Name ]:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

[Synonym ]:
1,3-Cyclohexanediol,4-methylene-5-(2-(octahydro-7a-methyl-1-(1-(3-methylbutoxy)ethyl)-4H-inden-4-ylidene)ethylidene)-,(1S-(1alpha(R*),3abeta,4E(1S*,3R*,5Z),7aalpha))
1-Hydroxy-22-oxavitamin D3

Chemical & Physical Properties

[ Density]:
1.04g/cm3

[ Boiling Point ]:
530.1ºC at 760mmHg

[ Molecular Formula ]:
C26H42O3

[ Molecular Weight ]:
402.61000

[ Flash Point ]:
274.4ºC

[ Exact Mass ]:
402.31300

[ PSA ]:
49.69000

[ LogP ]:
5.57860

[ Vapour Pressure ]:
1.88E-13mmHg at 25°C

[ Index of Refraction ]:
1.535

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-hydroxydehydroepiandrosterone
  • 1α,3β-bis[(tert-butyldimethylsilyl)oxy]androst-5-en-17-one
  • 1α,3β-Bis(tert-butyldimethylsilyloxy)-17-oxoandrosta-5,7-diene
  • 1-[1,3-bis-(tert-butyldimethylsilanyloxy)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
  • 1α,3β-bis(tert-butyldimethylsilyloxy) pregna-5,7,17(Z)-triene
  • (((1S,3R,9S,10R,13S,14R)-17-((S)-1-(isopentyloxy)ethyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diyl)bis(oxy))bis(tert-butyldimethylsilane)

DownStream

Related Compounds

  • 1-(2-((2-ethoxyphenyl)amino)ethyl)-3,4,7,9-tetramethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • 5-(4-Chloro-2-fluorobenzyl)-4-methylthiazol-2-amine
  • CID 43988645
  • 1-(2-((4-butylphenyl)amino)ethyl)-3,4,7,9-tetramethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • 1-(2-(4-(4-fluorophenyl)piperazin-1-yl)ethyl)-3,4,7,9-tetramethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • N-(2-chlorobenzyl)-N'-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-pyridin-3-ylethyl]ethanediamide
  • N'-(3-methylphenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamide
  • N1-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl)-N2-(4-fluorophenyl)oxalamide
  • N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-pyridin-3-ylethyl]-N'-(3-fluorophenyl)ethanediamide
  • N'-(3-methoxyphenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamide
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