14-Methyl-3B,20A-Bis(Methylamino)-4-Methylene-9,19-Cyclo-5A,9B-Pregnan-16A-Ol

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Formula C25H42N2O
IUPAC Name (1s,3r,6s,8r,11s,12s,14r,15s,16r)-12,16-dimethyl-6-(methylamino)-15-[(1s)-1-(methylamino)ethyl]-7-methylene-pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Molecular Mass 386.614 g·mol−1
Heat of Formation -223.7 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 518.91 Å 3
Surface Area 395.8 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 9,19-cyclo-5.alpha.,9.beta.-pregnan-16.alpha.-ol, 14-methyl-3.beta.,20.alpha.-bis(methylamino)-4-methylene-
  • 9,19-cyclopregnan-16-ol, 14-methyl-3,20-bis(methylamino)-4-methylene-, (3.beta.,5.alpha.,16.alpha.,20s)-
  • cyclobuxine
  • cyclobuxine-d
CAS Number(s)
  • 2241-90-9
InChIKey BSNZFQANPMIOIU-WZBMPAQFSA-N
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