(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R,3E)-9-Hydroxy-9-Methyl-3-Decen-2-Yl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C30H48O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r)-8-hydroxy-1,8-dimethyl-non-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 456.700 g·mol−1
Heat of Formation -703.8 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 634.51 Å 3
Surface Area 501.79 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r)-8-hydroxy-1,8-dimethyl-non-2-enyl]-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-[(e,1r)-8-hydroxy-1,8-dimethylnon-2-enyl]-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-[(e,2r)-9-hydroxy-9-methyl-dec-3-en-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-[(e,2r)-9-hydroxy-9-methyldec-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e,22e)-(1s,3r)-24a,24b,24c-trihomo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
  • 1alpha,25-dihydroxy-22,23-didehydro-24a,24b,24c-trihomovitamin d3 /1alpha,25-dihydroxy-22,23-didehydro-24a,24b,24c-trihomocholecalciferol
  • lmst03020458
InChIKey RZLPEKINOHYZDW-IYCWODGDSA-N
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