(5Xi,8Xi,9Xi,10Xi,13Xi,14Xi,17Xi)-11-Hydroxy-3,18-Dioxopregnan-21-Yl Hydrogen Sulfate
Properties
Property | Value |
---|---|
Formula | C21H32O7S |
IUPAC Name | 2-[(5s,8s,9s,10s,11s,13s,14s,17r)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate |
Molecular Mass | 428.540 g·mol−1 |
Heat of Formation | -1372.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.59 ± 1.08 D |
Volume | 494.17 Å 3 |
Surface Area | 393.69 Å 2 |
HOMO Energy | -9.77 ± 0.55 eV |
LUMO Energy | -0.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | HVANFPMHKAMILB-WMYZSORKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |