(1S,2R,4As,6Ar,8R,9R,10As,12As)-9-Acetoxy-8-(β-D-Glucopyranosyloxy)-2,4A,7,7,10A,12A-Hexamethyl-2-[(2R)-3-Methyl-2-Butanyl]-3-Oxo-1,2,3,4,4A,5,6,6A,7,8,9,10,10A,11,12,12A-Hexadecahydro-1-Chrysenecarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C38H60O11 |
| IUPAC Name | (1r,2s,4ar,6ar,8r,9r,10as,12ar)-9-acetoxy-2-[(1s)-1,2-dimethylpropyl]-2,4a,7,7,10a,12a-hexamethyl-3-oxo-8-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4,5,6,6a,8,9,10,11,12-decahydrochrysene-1-carboxylic acid |
| Molecular Mass | 692.876 g·mol−1 |
| Heat of Formation | -2298.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.72 ± 1.08 D |
| Volume | 843.28 Å 3 |
| Surface Area | 591.43 Å 2 |
| HOMO Energy | -9.53 ± 0.55 eV |
| LUMO Energy | 3.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FBAPXRMZLULGNA-KVJXOHEBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |