Pregnane-3,6,20-Triol
Properties
Property | Value |
---|---|
Formula | C21H36O3 |
IUPAC Name | (3r,5r,6s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol |
Molecular Mass | 336.509 g·mol−1 |
Heat of Formation | -831.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.89 ± 1.08 D |
Volume | 437.75 Å 3 |
Surface Area | 340.67 Å 2 |
HOMO Energy | -10.04 ± 0.55 eV |
LUMO Energy | 2.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | SWHHMTKXNOSPLE-CJCIAWFASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |