(3β,5Xi,9Xi,18Xi)-28-Hydroxy-28-Oxoolean-12-En-3-Yl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C36H56O9 |
IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 632.824 g·mol−1 |
Heat of Formation | -1905.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.97 ± 1.08 D |
Volume | 764.41 Å 3 |
Surface Area | 550.16 Å 2 |
HOMO Energy | -9.47 ± 0.55 eV |
LUMO Energy | 3.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | IUCHKMAZAWJNBJ-AOMNZQDKSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |