4-[(3S,3Ar,5Ar,6S,9As,9Br)-3-Hydroxy-3A,6-Dimethyldodecahydro-1H-Cyclopenta[A]Naphthalen-6-Yl]-2-Butanone

Molecule SVG Image

Properties Simple | Detailed

Formula C19H32O2
IUPAC Name 4-[(3s,3ar,5ar,6s,9as,9br)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1h-cyclopenta[a]naphthalen-6-yl]butan-2-one
Molecular Mass 292.456 g·mol−1
Heat of Formation -608.9 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 393.26 Å 3
Surface Area 322.02 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-4,5-secoandrostan-3-one
  • 2-butanone, 4-(dodecahydro-3-hydroxy-3a,6-dimethyl-1h-benz(e)inden-6-yl)-, (3s-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta))-
  • 4,5-secodihydrotestosterone
  • 4-(dodecahydro-3-hydroxy-3a,6-dimethyl-1h-benz(e)inden-6-yl)-2-butanone (3s-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta))-
  • 4-[(3s,3ar,5ar,6s,9as,9br)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1h-cyclopenta[f]naphthalen-6-yl]butan-2-one
CAS Number(s)
  • 76760-84-4
InChIKey RFAQLXDYODFWHC-ZOVJDJALSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O