(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R,3E,5E)-7-Ethyl-7-Hydroxy-3,5-Nonadien-2-Yl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C30H46O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2e,4e)-6-ethyl-6-hydroxy-1-methyl-octa-2,4-dienyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 454.684 g·mol−1
Heat of Formation -609.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 623.41 Å 3
Surface Area 504.8 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2e,4e)-6-ethyl-6-hydroxy-1-methyl-octa-2,4-dienyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,2e,4e)-6-ethyl-6-hydroxy-1-methylocta-2,4-dienyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3e,5e)-7-ethyl-7-hydroxy-nona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3e,5e)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (22e,24e)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a-homovitamin d3 / (22e,24e)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a-homocholecalciferol
  • (5z,7e,22e,24e)-(1s,3r)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol
  • 22-24-diene-24a,26a,27a,trihomo-1alpha,25-dihydroxyvitamin d3
  • 5-{2-[1-(6-ethyl-6-hydroxy-1-methyl-octa-2,4-dienyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
  • cb-1089
  • eb1
  • lmst03020449
InChIKey LVLLALCJVJNGQQ-SEODYNFXSA-N
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