3α,7α,12Beta-Trihydroxy-5α-Cholan-24-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H40O5
IUPAC Name (4r)-4-[(3r,5r,7r,8r,9s,10s,12r,13r,14s,17r)-3,7,12-trihydroxy-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 408.571 g·mol−1
Heat of Formation -1256.2 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 514.49 Å 3
Surface Area 395.46 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3r,5r,7r,8r,9s,10s,12r,13r,14s,17r)-3,7,12-trihydroxy-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
  • (4r)-4-[(3r,5r,7r,8r,9s,10s,12r,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
InChIKey BHQCQFFYRZLCQQ-OFYMMLAUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O