Maxacalcitol

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Properties Simple | Detailed

Formula C26H42O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 418.609 g·mol−1
Heat of Formation -869.9 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 560.41 Å 3
Surface Area 450.04 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(1s)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 1,25-dihydroxy-22-oxavitamin d3
  • 1,3-cyclohexanediol, 4-methylene-5-((2e)-((1s,3as,7as)-octahydro-1-((1s)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyl-4h-inden-4-ylidene)ethylidene)-, (1r,3s,5z)-
  • 1,3-cyclohexanediol, 4-methylene-5-(2-(octahydro-1-(1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyl-4h-inden-4-ylidene)ethylidene)-, (1s-(1alpha(r*),3abeta,4e(1s*,3r*,5z),7aalpha))-
  • 1alpha,25-dihydroxy-22-oxavitamin d3
  • 1alpha,25-dihydroxy-22-oxavitamin d3 / 1alpha,25-dihydroxy-22-oxacholecalciferol
  • 22-oxa-1,25(oh)2d3
  • 22-oxa-1,25-dihydroxyvitamin d3
  • 22-oxacalcitriol
  • d01098
  • lmst03020060
  • maxacalcitol (jan/usan/inn)
  • mc 1275
  • mc-1275
  • oxarol
  • prezios
  • sch 209579
  • sch-209579
CAS Number(s)
  • 103909-75-7
InChIKey DTXXSJZBSTYZKE-ZDQKKZTESA-N
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