(3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-Secocholesta-5,7,10-Trien-25-Ol

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Properties Simple | Detailed

Formula C30H47NO2
IUPAC Name 3-[(1s,3z)-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-methylene-cyclohexoxy]propanenitrile
Molecular Mass 453.700 g·mol−1
Heat of Formation -560.7 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 637.5 Å 3
Surface Area 533.34 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-(3-aminopropoxy)-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-(3-aminopropoxy)-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-(3-aminopropoxy)-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
InChIKey RAIPMHBURQASRR-BAUWAPLESA-N
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