(1R,3As,3Br,5As,15As,15Bs,17As)-1-Ethynyl-15A,17A-Dimethyl-2,3,3A,3B,4,5,5A,6,15,15A,15B,16,17,17A-Tetradecahydro-1H-Benzimidazo[2,1-B]Cyclopenta[5,6]Naphtho[1,2-G]Quinazolin-1-Ol

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Formula C29H33N3O
IUPAC Name (1r,3as,3br,5as,15as,15bs,17as)-1-ethynyl-15a,17a-dimethyl-2,3,3a,3b,4,5,5a,6,15,15a,15b,16,17,17a-tetradecahydro-1h-benzimidazo[2,1-b]cyclopenta[5,6]naphtho[1,2-g]quinazolin-1-ol
Molecular Mass 439.592 g·mol−1
Heat of Formation 235.1 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 483.13 Å 3
Surface Area 387.55 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 17-beta-hydroxy-17-alpha-ethynyl-5-alpha-androstano[3,2-beta]pyrimido[1,2-alpha]benzimidazole
  • win 51,708
InChIKey AIIXYCDTEGICEE-HZVAOYAWSA-N
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