(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R)-1-{[3-(2-Hydroxy-2-Propanyl)Phenyl]Sulfanyl}-2-Propanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol (Non-Preferred Name)

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Properties Simple | Detailed

Formula C31H44O3S
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-2-[3-(1-hydroxy-1-methyl-ethyl)phenyl]sulfanyl-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 496.744 g·mol−1
Heat of Formation -574.2 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 646.8 Å 3
Surface Area 513.89 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-2-[3-(1-hydroxy-1-methyl-ethyl)phenyl]sulfanyl-1-methyl-ethyl]-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)-2-[[3-(1-hydroxy-1-methyl-ethyl)phenyl]thio]-1-methyl-ethyl]-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)-2-[[3-(1-hydroxy-1-methylethyl)phenyl]thio]-1-methylethyl]-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)-1-[3-(2-hydroxypropan-2-yl)phenyl]sulfanylpropan-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)-1-[3-(2-hydroxypropan-2-yl)phenyl]sulfanylpropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey FWRFAYZHYQBYOY-GRWVKNQXSA-N
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