(3S,5Z,7E)-3,25-Dihydroxy-9,10-Secocholesta-5,7,10-Trien-24-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-3-one
Molecular Mass 414.621 g·mol−1
Heat of Formation -698.9 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 557.0 Å 3
Surface Area 444.1 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,7e)-(3s)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-3-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methyl-heptan-3-one
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
  • 24-oxo-25(oh)d3
  • 24-oxo-25-hydroxyvitamin d3
  • 24-oxocalcidiol
  • 25-hydroxy-24-oxocalciol
  • 25-hydroxy-24-oxovitamin d_3 / 25-hydroxy-24-oxocholecalciferol
  • lmst03020164
InChIKey DDZHNKIBJQESJA-AHMPPUFCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O