(2R,3S,3Ar,9S,10Ar,12Ar,12Bs)-3-[(1S)-1-Aminoethyl]-9-(Dimethylamino)-3A,10,10,12B-Tetramethyl-1,2,3,3A,4,7,8,9,10,10A,11,12,12A,12B-Tetradecahydrobenzo[4,5]Cyclohepta[1,2-E]Inden-2-Ol

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Formula C26H44N2O
IUPAC Name (2r,3s,3ar,9s,10ar,12ar,12bs)-3-[(1s)-1-aminoethyl]-9-(dimethylamino)-3a,10,10,12b-tetramethyl-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydrobenzo[4,5]cyclohepta[1,2-e]inden-2-ol
Molecular Mass 400.640 g·mol−1
Heat of Formation -297.0 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 535.58 Å 3
Surface Area 403.76 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • b(9a)-homo-19-norpregna-9(11),9a-dien-16-ol, 20-amino-3-(dimethylamino)-4,4,14-trimethyl-, (3beta,5alpha,16alpha,20s)-
CAS Number(s)
  • 14155-76-1
InChIKey AJPLABZESIJHMG-OTKPAKDNSA-N
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