(1R,3S,5Z)-5-{(2E)-2-[(1R,3As,7Ar)-1-{(2S)-1-[(2-Hydroxy-2-Methylpropyl)Amino]-2-Propanyl}-7A-Methyloctahydro-4H-Inden-4-Ylidene]Ethylidene}-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C26H43NO3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-[(2-hydroxy-2-methyl-propyl)amino]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 417.625 g·mol−1
Heat of Formation -672.7 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 568.92 Å 3
Surface Area 451.48 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-[(2-hydroxy-2-methyl-propyl)amino]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-[(2-hydroxy-2-methylpropyl)amino]-1-methylethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s)-1-[(2-hydroxy-2-methyl-propyl)amino]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s)-1-[(2-hydroxy-2-methylpropyl)amino]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-23-aza-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 1alpha,25-dihydroxy-23-azavitamin d3 / 1alpha,25-dihydroxy-23-azacholecalciferol
  • lmst03020070
InChIKey KJDVMNDTGSVQOU-ZPURXJTESA-N
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