(7α)-7-Hydroxy-3-Oxocholest-4-En-26-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H42O4
IUPAC Name (2r,6r)-6-[(7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
Molecular Mass 430.620 g·mol−1
Heat of Formation -1000.1 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 561.6 Å 3
Surface Area 437.1 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
InChIKey SATGKQGFUDXGAX-SLTBQWEQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O