11,21,21-Trihydroxy-3,20-Dioxopregna-1,4-Dien-17-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C28H32O7 |
IUPAC Name | [(8s,9s,10r,11s,13s,14s,17r)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] benzoate |
Molecular Mass | 480.549 g·mol−1 |
Heat of Formation | 2307.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.08 ± 1.08 D |
Volume | 440.69 Å 3 |
Surface Area | 377.5 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | -3.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | WOTRZIGJOBXZSH-IIZVWERESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |