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

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Formula C29H32N3O+
IUPAC Name (1r,3as,3br,15ar,15bs,17as)-1-ethynyl-15a,17a-dimethyl-2,3,3a,3b,4,5,15,15a,15b,16,17,17a-dodecahydro-1h-benzimidazo[2,1-b]cyclopenta[5,6]naphtho[1,2-g]quinazolin-1-ol
Molecular Mass 438.584 g·mol−1
Heat of Formation 323.8 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 478.18 Å 3
Surface Area 385.56 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 17-beta-hydroxy-17-alpha-ethynyl-delta-4-androstano[3,2-b]pyrimido[1,2-a]benzimidazole
  • win 62,577
InChIKey YBCYJDNOPAFFOW-XOAARHKISA-N
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