(3α,5Beta,12α)-3,12-Dihydroxy-7-Methylcholan-24-Oic Acid
Properties
Property | Value |
---|---|
Formula | C25H42O4 |
IUPAC Name | (4r)-4-[(3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-7,10,13-trimethyl-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 | 406.599 g·mol−1 |
Heat of Formation | -1091.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.42 ± 1.08 D |
Volume | 527.92 Å 3 |
Surface Area | 395.67 Å 2 |
HOMO Energy | -10.07 ± 0.55 eV |
LUMO Energy | 1.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | UTDFMMXQANBWNX-VGSURXLUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |