(2β,5β,8Alpha,9β,10Alpha,13Alpha,15Alpha)-15-Hydroxy-2-{[2-O-(3-Methylbutanoyl)-3,4-Di-O-Sulfo-β-D-Glucopyranosyl]Oxy}Kaur-16-Ene-18,19-Dioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H46O18S2 |
| IUPAC Name | (1r,4s,7s,9s,10s,13r,15s)-15-hydroxy-7-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(hydroxysulfonyloxy)-3-(3-methylbutanoyloxy)tetrahydropyran-2-yl]oxy-9-methyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid |
| Molecular Mass | 770.816 g·mol−1 |
| Heat of Formation | -3395.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.78 ± 1.08 D |
| Volume | 835.58 Å 3 |
| Surface Area | 612.3 Å 2 |
| HOMO Energy | -10.14 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AQFATIOBERWBDY-LNQSNDDKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |