(5Xi,8Xi,9Xi,10Xi,13Xi,14Xi,17Xi,20Xi)-7,7-Difluorocholestan-26-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H46F2O
IUPAC Name (2r,6r)-6-[(5r,8r,9s,10s,13r,14s,17r)-7,7-difluoro-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-1-ol
Molecular Mass 424.650 g·mol−1
Heat of Formation -1017.3 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 559.2 Å 3
Surface Area 438.3 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
InChIKey QQISKMDMAGIQOI-QEBSHINZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F