(3β)-25,26,26,26,27,27,27-Heptafluorocholest-5-En-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H39F7O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r)-5,6,6,6-tetrafluoro-1-methyl-5-(trifluoromethyl)hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 512.587 g·mol−1
Heat of Formation -1597.5 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 591.1 Å 3
Surface Area 459.97 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(1r)-5,6,6,6-tetrafluoro-1-methyl-5-(trifluoromethyl)hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 25,26,26,26,27,27,27-heptafluorocholest-5-en-3-ol (3beta)-
  • 25,26,26,26,27,27,27-heptafluorocholesterol
  • 25-hfcl
  • cholest-5-en-3-ol, 25,26,26,26,27,27,27-heptafluoro-, (3beta)-
CAS Number(s)
  • 153463-21-9
InChIKey DUAIJEYNEJQOCE-OLSVQSNTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F