Methyl (5α)-3-Oxocholest-1-En-21-Oate
Properties
Property | Value |
---|---|
Formula | C28H44O3 |
IUPAC Name | methyl (2r)-2-[(5s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-heptanoate |
Molecular Mass | 428.647 g·mol−1 |
Heat of Formation | -794.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.82 ± 1.08 D |
Volume | 573.99 Å 3 |
Surface Area | 448.5 Å 2 |
HOMO Energy | -9.84 ± 0.55 eV |
LUMO Energy | -0.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | LTTLIRHGLXHJJP-CNMDJWEVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |