(3α,5Beta,6α,7α)-2,3,6,7-Tetrahydroxycholan-24-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H40O6
IUPAC Name (4r)-4-[(2s,3s,5r,6s,7r,8s,9s,10r,13r,14s,17r)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 424.571 g·mol−1
Heat of Formation -1422.0 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 531.2 Å 3
Surface Area 406.11 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
InChIKey KAHZQJKLALFAGB-HWQBWOBFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O