(3β,4β,5Alpha)-3,19-Dihydroxypregn-20-En-4-Yl 3-O-Sulfo-β-D-Glucopyranoside
Properties
Property | Value |
---|---|
Formula | C27H44O11S |
IUPAC Name | [3,5-dihydroxy-2-[[3-hydroxy-10-(hydroxymethyl)-13-methyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-4-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-4-yl] hydrogen sulfate |
Molecular Mass | 576.697 g·mol−1 |
Heat of Formation | 1777.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.02 ± 1.08 D |
Volume | 565.89 Å 3 |
Surface Area | 479.56 Å 2 |
HOMO Energy | -8.22 ± 0.55 eV |
LUMO Energy | -2.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | KTFHNNJQQWKFQS-XSQKZGFSSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C S O |