N-[(1S,3Ar,4S,5Ar,10As,10Bs)-1,4,7,7-Tetramethyl-1,2,3,3A,4,5,5A,6,7,8,9,10,10A,10B-Tetradecahydro-1-Pyrenyl]Formamide

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Properties Simple | Detailed

Formula C21H33NO
IUPAC Name n-[(1s,3ar,4s,5ar,10as,10bs)-1,4,7,7-tetramethyl-2,3,3a,4,5,5a,6,8,9,10,10a,10b-dodecahydropyren-1-yl]formamide
Molecular Mass 315.493 g·mol−1
Heat of Formation -366.6 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 406.96 Å 3
Surface Area 317.77 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • formamide, [(1s,4s)-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1,4,7,7-tetramethyl-1-pyrenyl]-
  • n-(1,4,7,7-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-pyren-1-yl)-formamide
  • n-[(1s,3ar,4s,5ar,10as,10bs)-1,4,7,7-tetramethyl-2,3,3a,4,5,5a,6,8,9,10,10a,10b-dodecahydropyren-1-yl]formamide
  • n-[(1s,3ar,4s,5ar,10as,10bs)-1,4,7,7-tetramethyl-2,3,3a,4,5,5a,6,8,9,10,10a,10b-dodecahydropyren-1-yl]methanamide
  • n-formyl-7-amino-11-cycloamphilectene
  • rel-n-[(1r,4r)-1,4,7,7-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydropyren-1-yl]formamide
InChIKey SYYCXXTWCFHRJV-FLZUIWIWSA-N
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