(3β,5β,14Alpha)-3-(β-D-Glucopyranosyloxy)Card-20(22)-Enolide
Properties
Property | Value |
---|---|
Formula | C29H44O8 |
IUPAC Name | 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-10,13-dimethyl-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one |
Molecular Mass | 520.655 g·mol−1 |
Heat of Formation | -1613.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.81 ± 1.08 D |
Volume | 630.02 Å 3 |
Surface Area | 474.62 Å 2 |
HOMO Energy | -10.32 ± 0.55 eV |
LUMO Energy | -0.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZHVOBYWXERUHMN-WVFFZGEPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |