(1R,3R,7E,17β)-17-[(2S)-2-Butanyl]-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol

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Properties Simple | Detailed

Formula C23H36O2
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1s)-1-methylpropyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
Molecular Mass 344.531 g·mol−1
Heat of Formation -464.1 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 471.32 Å 3
Surface Area 387.25 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-sec-butyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-sec-butyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylenecyclohexane-1,3-diol
  • 1-alpha-hydroxy-2-methylene-19-nor-(20s)-bishomopregnacalciferol
  • 2mbisp
  • 5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol
  • vd1
InChIKey QSLUXQQUPXBIHH-YHSKWIAJSA-N
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