1-{[(3α,5Beta,8Xi,9Xi,14Xi,17α)-3-Hydroxy-24-Oxocholan-24-Yl]Oxy}-2,5-Pyrrolidinedione
Properties
Property | Value |
---|---|
Formula | C28H43NO5 |
IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (4r)-4-[(3r,5r,8s,9r,10s,13r,14r,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate |
Molecular Mass | 473.645 g·mol−1 |
Heat of Formation | -1043.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.29 ± 1.08 D |
Volume | 596.05 Å 3 |
Surface Area | 461.87 Å 2 |
HOMO Energy | -10.03 ± 0.55 eV |
LUMO Energy | 2.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | NPZMMBWYMYQGDF-YKVGKKFOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |