(5α,25S)-3-Oxocholestan-26-Oic Acid
Properties
Property | Value |
---|---|
Formula | C27H44O3 |
IUPAC Name | (2r,6r)-6-[(5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid |
Molecular Mass | 416.636 g·mol−1 |
Heat of Formation | -915.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.28 ± 1.08 D |
Volume | 558.31 Å 3 |
Surface Area | 442.77 Å 2 |
HOMO Energy | -9.82 ± 0.55 eV |
LUMO Energy | 3.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | VJABJEQGFJMMDO-JCNWZXFDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |