(3R,5Z,7E)-3,25-Dihydroxy-9,10-Secocholesta-5,7,10-Trien-23-One

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
Molecular Mass 414.621 g·mol−1
Heat of Formation -716.4 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 553.55 Å 3
Surface Area 451.31 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-4-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
  • 23-keto-25-hydroxyvitamin d3
  • 25-hydroxy-23-oxocholecalciferol
  • 25-hydroxy-23-oxovitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-23-one, 3,25-dihydroxy-, (3beta,5z,7e)-
CAS Number(s)
  • 83353-84-8
InChIKey LJDYLLNFUNWTLY-MPVSSLABSA-N
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