3A,7A,12A,24-Tetrahydroxy-5B-Cholestan-26-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H46O6
IUPAC Name (2r,3r,6r)-3-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,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]heptanoic acid
Molecular Mass 466.651 g·mol−1
Heat of Formation -1501.6 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 590.4 Å 3
Surface Area 452.43 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 3.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,6r)-3-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,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]enanthic acid
  • (2r,3r,6r)-3-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,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]heptanoic acid
InChIKey FAYYTQMQTAKHRM-ARIMCAHSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O