(6β,9Xi,11β,14Xi,17Xi)-6,11,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione
Properties
Property | Value |
---|---|
Formula | C21H28O6 |
IUPAC Name | (6r,8r,9r,10r,11s,13s,14r,17r)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-one |
Molecular Mass | 376.443 g·mol−1 |
Heat of Formation | -1040.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.27 ± 1.08 D |
Volume | 442.6 Å 3 |
Surface Area | 347.99 Å 2 |
HOMO Energy | -9.81 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | LJGWPGVRXUUNAG-FUHFQSMCSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |