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

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Properties Simple | Detailed

Formula C26H42O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-(2-hydroxy-2-methyl-propoxy)-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 418.609 g·mol−1
Heat of Formation -859.7 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 559.73 Å 3
Surface Area 437.09 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s)-2-(2-hydroxy-2-methyl-propoxy)-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-methylpropoxy)-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-propoxy)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • 1,25-dihydroxy-23-oxavitamin d3
  • 1,25-dovd3
  • 1,3-cyclohexanediol, 4-methylene-5-(2-(octahydro-1-(2-(2-hydroxy-2-methylpropoxy)-1-methylethyl)-7a-methyl-4h-inden-4-ylidene)ethylidene)-, (1r-(1alpha(s*),3abeta,4e(1r*,3s*,5z),7aalpha))-
  • 1alpha,25-dihydroxy-23-oxavitamin d3
  • 1alpha,25-dihydroxy-23-oxavitamin d3 / 1alpha,25-dihydroxy-23-oxacholecalciferol
  • 23-oxa-1alpha,25-dihydroxyvitamin d3
  • lmst03020063
  • zk 150582
CAS Number(s)
  • 140387-52-6
InChIKey BLWGJQZULCEFMA-ZPURXJTESA-N
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