(3S,3Ar,5As,5Br,7Ar,9R,10R,11As,11Bs)-9-(β-D-Glucopyranosyloxy)-11A-(Hydroxymethyl)-3-Isopropyl-3A,5A,5B,8,8-Pentamethyl-1-Oxo-2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,11A,11B,12,13-Octadecahydro-1H-Cyclopenta[A]Chrysen-10-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C38H60O10 |
| IUPAC Name | [(3s,3ar,5as,5br,7ar,9r,10r,11as,11bs)-11a-(hydroxymethyl)-3-isopropyl-3a,5a,5b,8,8-pentamethyl-1-oxo-9-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6,7,7a,9,10,11,11b,12,13-dodecahydro-2h-cyclopenta[a]chrysen-10-yl] acetate |
| Molecular Mass | 676.877 g·mol−1 |
| Heat of Formation | -2114.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.75 ± 1.08 D |
| Volume | 822.85 Å 3 |
| Surface Area | 582.14 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | 0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CXHPXRHMWVTPLG-CFOWQPEWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |