(1R,3S,5E)-5-[(2E)-2-{(1R,3As,7As)-1-[(2R,3E,5R)-5-Hydroxy-6-Methyl-3-Hepten-2-Yl]-7A-Methyloctahydro-5H-Inden-5-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(e,1r,4r)-4-hydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-5-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 414.621 g·mol−1
Heat of Formation -636.1 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 559.04 Å 3
Surface Area 463.7 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(e,1r,4r)-4-hydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-5-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(e,1r,4r)-4-hydroxy-1,5-dimethylhex-2-enyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-5-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(e,2r,5r)-5-hydroxy-6-methyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-5-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7as)-1-[(e,2r,5r)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1,24-dihydroxy-22-dehydrocholecalciferol
  • 1,24-dihydroxy-22-dehydrovitamin d3
  • 1,24-oh-22-dh-d3
CAS Number(s)
  • 95270-41-0
InChIKey REQQGRCFYKWEJJ-FOOKDHRWSA-N
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