(1R,3S,6Z)-9,10-Secocholesta-5(10),6,8-Triene-1,3,25-Triol

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Properties Simple | Detailed

Formula C27H44O3
IUPAC Name (1s,3r)-5-[(z)-2-[(1r,3ar,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
Molecular Mass 416.636 g·mol−1
Heat of Formation -758.4 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 574.29 Å 3
Surface Area 443.54 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 3.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r)-5-[(z)-2-[(1r,3ar,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]-4-methyl-cyclohex-4-ene-1,3-diol
  • (1s,3r)-5-[(z)-2-[(1r,3ar,7ar)-1-[(1r)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]-4-methylcyclohex-4-ene-1,3-diol
  • (1s,3r)-5-[(z)-2-[(1r,3ar,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methyl-cyclohex-4-ene-1,3-diol
  • 1 alpha,25-dihydroxy-previtamin d(3)
  • 1,25-dihydroxy-previtamin d(3)
  • 1,25-dihydroxytachysterol
  • 9,10-secocholesta-5(10),6,8-triene-1,3,25-triol, (1alpha,3beta,6z)-
CAS Number(s)
  • 57102-09-7
InChIKey DOIZGAFWGREMOD-BJGFKTPISA-N
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