3-[(6-Deoxyhexopyranosyl)Oxy]-14,19-Dihydroxycard-20(22)-Enolide
Properties
Property | Value |
---|---|
Formula | C29H44O9 |
IUPAC Name | (2r,3r,4r,5s,6r)-2-[[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate |
Molecular Mass | 536.654 g·mol−1 |
Heat of Formation | -1824.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.74 ± 1.08 D |
Volume | 628.89 Å 3 |
Surface Area | 462.61 Å 2 |
HOMO Energy | -9.93 ± 0.55 eV |
LUMO Energy | 2.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | WPVGSIBYLZQSIK-AABBXQGPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |