Cholecalciferol

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 384.638 g·mol−1
Heat of Formation -388.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 548.6 Å 3
Surface Area 441.65 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • ()-vitamin d3
  • (+)-vitamin d3
  • (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (3beta,5z,7e)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • (3s,5z,7e)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • (5z,7e)-(3s)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
  • (5z,7e)-(3s)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • 7-dehydrocholesterol activated
  • 7-dehydrocholesterol, irradiated
  • 7-dehydrocholestrol, activated
  • 9,10-seco(5z,7e)-5,7,10(19)-cholestatrien-3-ol
  • 9,10-seco(5z,7e)-5,7,10(19)-cholestatrien-3beta-ol
  • 9,10-secocholesta-5(z),7(e),10(19)-trien-3(.beta.)-ol
  • 9,10-secocholesta-5,7,10(19)-trien-3-beta-ol
  • 9,10-secocholesta-5,7,10(19)-trien-3-ol, (3beta,5z,7e)-
  • 9,10-secocholestra-5,7,10(19)-trien-3-ol, (3beta,5z,7e)-
  • acon1_001997
  • activated 7-dehydrocholesterol
  • arachitol
  • bpbio1_000460
  • calciol
  • cc
  • cholecalciferol (d3)
  • cholecalciferol, d3
  • cholecalciferolum
  • colecalciferol
  • colecalciferolo [dcit]
  • colecalcipherol
  • d3-vicotrat
  • d3-vigantol
  • delsterol
  • deparal
  • duphafral d3 1000
  • ebivit
  • epa pesticide chemical code 202901
  • feracol
  • irradiated 7-dehydrocholesterol
  • lmst03020001
  • megxm0_000458
  • neo dohyfral d3
  • oleovitamin d3
  • rampage
  • ricketon
  • smp1_000068
  • trivitan
  • vi-de-3-hydrosol
  • vigorsan
  • vitamin d3 emulsifiable
  • vitinc dan-dee-3
CAS Number(s)
  • 8024-19-9
  • 8050-67-7
  • 1406-16-2
  • 57651-82-8
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
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