1,25-Dihydroxyvitamin D3-26,23-Lactone

Molecule SVG Image

Properties Simple | Detailed

Formula C27H38O5
IUPAC Name (3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-2-[(2s,4r)-4-hydroxy-4-methyl-5-oxo-tetrahydrofuran-2-yl]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-5-oxo-hexanal
Molecular Mass 442.588 g·mol−1
Heat of Formation -996.2 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 574.09 Å 3
Surface Area 457.19 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (23s,25r)-1alpha,25-dihydroxyvitamin d3 26,23-lactone / (23s,25r)-1alpha,25-dihydroxycholecalciferol 26,23-lactone
  • (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-hydroxy-3-methyl-tetrahydrofuran-2-one
  • (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-hydroxy-3-methyl-2-tetrahydrofuranone
  • (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-hydroxy-3-methyl-oxolan-2-one
  • (3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
  • (5z,7e)-(1s,3r,23s,25r)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone
  • 1,25-dihydroxycholecalciferol-26-23-lactone
  • 1,25-lactone
  • 1alpha,25-dihydroxyvitamin d3-26,23-lactone
  • 23(s),25(r)-1,25(oh)2d3-26,23-lactone
  • 9,10-secocholesta-5,7,10(19)-trien-26-oic acid, 1,3,23,25-tetrahydroxy-, gamma-lactone, (1alpha,3beta,5z,7e,22s,25r)-
  • calcitriol-26,23-lactone
  • lmst03020123
CAS Number(s)
  • 81203-50-1
InChIKey WMYIVSWWSRCZFA-RWVJFQLJSA-N
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