12-Oxo-3A,7A-Dihydroxy-5B-Cholan-24-Oate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H38O5
IUPAC Name (4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Molecular Mass 406.556 g·mol−1
Heat of Formation -962.2 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 506.32 Å 3
Surface Area 385.49 Å 2
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-12-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valerate
  • 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate
  • 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate
InChIKey MIHNUBCEFJLAGN-DMMBONCOSA-M
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O