(3R,5Z,7E,11α)-9,10-Secocholesta-5,7,10-Triene-3,11-Diol

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3r,3ar,5s,7e,7as)-3-[(1r)-1,5-dimethylhexyl]-7-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1h-inden-5-ol
Molecular Mass 400.637 g·mol−1
Heat of Formation -559.0 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 549.49 Å 3
Surface Area 447.09 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,5s,7e,7as)-3-[(1r)-1,5-dimethylhexyl]-7-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1h-inden-5-ol
  • (3r,3ar,5s,7e,7as)-3-[(1r)-1,5-dimethylhexyl]-7-[(2z)-2-[(5r)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1h-inden-5-ol
  • (3r,3ar,5s,7e,7as)-7-[(2z)-2-[(5r)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1h-inden-5-ol
  • (3r,3ar,5s,7e,7as)-7-[(2z)-2-[(5r)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1h-inden-5-ol
  • 11-hydroxyvitamin d3
  • 11alpha-hydroxyvitamin d3
  • 9,10-secocholesta-5,7,10(19)-triene-3,11-diol, (3beta,5z,7e,11alpha)-
CAS Number(s)
  • 89321-96-0
InChIKey KDPWFHILYNISTF-DQCVJNKXSA-N
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