(6E)-8,25-Dihydroxy-9,10-Secocholesta-4,6,10-Trien-3-One

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name 3-[(e)-2-[(1r,3ar,4r,7ar)-4-hydroxy-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-yl]vinyl]-4-methylene-cyclohex-2-en-1-one
Molecular Mass 414.621 g·mol−1
Heat of Formation -679.8 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 567.41 Å 3
Surface Area 455.95 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-2-[(1r,3ar,4r,7ar)-4-hydroxy-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-yl]vinyl]-4-methylene-cyclohex-2-en-1-one
  • 3-[(e)-2-[(1r,3ar,4r,7ar)-4-hydroxy-1-[(1r)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-yl]vinyl]-4-methylene-1-cyclohex-2-enone
  • 3-[(e)-2-[(1r,3ar,4r,7ar)-4-hydroxy-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-yl]ethenyl]-4-methylidene-cyclohex-2-en-1-one
  • 3-[(e)-2-[(1r,3ar,4r,7ar)-4-hydroxy-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-yl]ethenyl]-4-methylidenecyclohex-2-en-1-one
  • 8,25-(oh)2-3-oxoneo-d3
  • 8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
  • 9,10-secocholesta-4,6,10(19)-trien-3-one, 8,25-dihydroxy-, (8alpha)-
  • dsco/*bi
CAS Number(s)
  • 109947-25-3
InChIKey CIYNDEHOHLAUJG-XXEMARPHSA-N
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