(3R,5Z,7E,17α)-3-Azido-9,10-Secocholesta-5,7,10-Trien-25-Ol

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Formula C27H44N3O
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-azido-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
Molecular Mass 426.658 g·mol−1
Heat of Formation -61.8 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 586.11 Å 3
Surface Area 483.13 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-azido-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-azido-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-azido-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-azido-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
InChIKey XSCCVONAMAFUQP-DTOXIADCSA-N
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