(2Z,4S)-4-Hydroxy-2-[(2E)-2-{(3R,3As,7As)-3A-Methyl-3-[(2R)-6-Methyl-2-Heptanyl]Octahydro-5H-Inden-5-Ylidene}Ethylidene]Cyclohexanone

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Properties Simple | Detailed

Formula C26H42O2
IUPAC Name (2z,4s)-2-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]ethylidene]-4-hydroxy-cyclohexanone
Molecular Mass 386.610 g·mol−1
Heat of Formation -582.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 536.15 Å 3
Surface Area 439.26 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4s)-2-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]ethylidene]-4-hydroxy-1-cyclohexanone
  • (2z,4s)-2-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]ethylidene]-4-hydroxy-cyclohexan-1-one
  • (2z,4s)-2-[(2e)-2-[(3r,3as,7as)-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]ethylidene]-4-hydroxy-cyclohexan-1-one
  • (2z,4s)-2-[(2e)-2-[(3r,3as,7as)-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
  • 10-keto-vitamin d3
  • 10-ketocholecalciferol
  • 10-ketovitamin d3
  • 19-nor-9,10-secocholesta-5,7-dien-4-one, 1-hydroxy-, (1alpha,5z,7e)-
  • cholecalciferol-10-one
CAS Number(s)
  • 95480-84-5
InChIKey YXLJDOQKSXHDDA-HFFWFVFZSA-N
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