(3R,5Z,7E,10R)-9,10-Secocholesta-5,7-Diene-3,25-Diol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methyl-cyclohexanol
Molecular Mass 402.653 g·mol−1
Heat of Formation -674.7 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 556.76 Å 3
Surface Area 456.53 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methyl-cyclohexan-1-ol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methyl-1-cyclohexanol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methyl-cyclohexan-1-ol
  • (1r,3z,4r)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol
  • 25-hydroxydihydrotachysterol(3)
  • 9,10-secocholesta-5,7-diene-3beta,25-diol
CAS Number(s)
  • 25631-39-4
InChIKey OAEHUEZTKKWVAX-YJIQUNDLSA-N
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