(1R,3S,5Z,7E)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-23-One

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Properties Simple | Detailed

Formula C27H42O4
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3r,5s)-3,5-dihydroxy-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 430.620 g·mol−1
Heat of Formation -892.2 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 571.13 Å 3
Surface Area 455.2 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3r,5s)-3,5-dihydroxy-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-[(3r,5s)-3,5-dihydroxy-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-[(3r,5s)-3,5-dihydroxy-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-[(3r,5s)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-hydroxy-2-methylheptan-4-one
  • 1,25-dihydroxy-23-oxo-vitamin d3
  • 1,25-dihydroxy-23-oxocholecalciferol
  • 1,25-dov
  • 23-keto-1,25-dihydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-23-one, 1,3,25-trihydroxy-, (1alpha,3beta,5z,7e)-
CAS Number(s)
  • 82095-23-6
InChIKey QBJVXMITWJPQNF-QWFDPWQYSA-N
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