23,25,26-Trihydroxycholecalciferol

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Formula C27H44O4
IUPAC Name (2r,4r,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-methyl-heptane-1,2,4-triol
Molecular Mass 432.636 g·mol−1
Heat of Formation -935.2 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 568.55 Å 3
Surface Area 463.9 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey GDIBDBUYVICGLY-VJAAKZQASA-N
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