(3Ar,4S,4Ar,6S,7Ar,7Br,8As,9S,12As,12Bs,12Cs)-6-(β-D-Glucopyranosyloxy)-11-Methoxy-4,7B,9,12A-Tetramethyl-12-Oxo-3A,4,4A,5,6,7A,7B,8,8A,9,12,12A,12B,12C-Tetradecahydro[1,3]Benzodioxolo[6,5,4-De]Benzo[G]Chromen-4-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C30H44O13 |
IUPAC Name | (3ar,4s,4ar,6s,7ar,7br,8as,9s,12as,12bs,12cs)-6-(beta-d-glucopyranosyloxy)-11-methoxy-4,7b,9,12a-tetramethyl-12-oxo-3a,4,4a,5,6,7a,7b,8,8a,9,12,12a,12b,12c-tetradecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-4-yl acetate |
Molecular Mass | 612.663 g·mol−1 |
Heat of Formation | -2317.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.92 ± 1.08 D |
Volume | 690.57 Å 3 |
Surface Area | 518.12 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | 0.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | NLABKWWGROHMBZ-BJVJGKTNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |