3B-(B-D-Glucopyranosyloxy)-14,23-Dihydroxy-24-Nor-5B,14B-Chol-20(22)-En-21-Oic Acid G-Lactone
Properties
Property | Value |
---|---|
Formula | C29H44O9 |
IUPAC Name | 4-[(3s,5s,8r,9s,10s,13r,14r,17s)-14-hydroxy-10,13-dimethyl-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one |
Molecular Mass | 536.654 g·mol−1 |
Heat of Formation | 1949.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.18 ± 1.08 D |
Volume | 511.35 Å 3 |
Surface Area | 447.03 Å 2 |
HOMO Energy | -8.48 ± 0.55 eV |
LUMO Energy | -3.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | ACLJAFRNPZVVIW-XUFSEMORSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |