(3β,5β)-3-(β-D-Glucopyranosyloxy)-14-Hydroxy-3-Methylcard-20(22)-Enolide
Properties
Property | Value |
---|---|
Formula | C30H46O9 |
IUPAC Name | 3-[(3r,5r,8r,9s,10s,13r,14r,17r)-14-hydroxy-3,10,13-trimethyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one |
Molecular Mass | 550.681 g·mol−1 |
Heat of Formation | -1818.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.30 ± 1.08 D |
Volume | 660.96 Å 3 |
Surface Area | 446.94 Å 2 |
HOMO Energy | -10.14 ± 0.55 eV |
LUMO Energy | 2.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | YDBFAIQQBCTMDK-BNRCWGDXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |