(3α,5Beta,7α,8α,10α,13α,15R)-3,15-Dibromo-7-Hydroxypimar-9(11)-En-16-Yl Hydrogen Sulfate
Properties
Property | Value |
---|---|
Formula | C20H32Br2O5S |
IUPAC Name | [(2r)-2-[(2s,4br,7r,8as,10r,10ar)-7-bromo-10-hydroxy-2,4b,8,8-tetramethyl-3,5,6,7,8a,9,10,10a-octahydro-1h-phenanthren-2-yl]-2-bromo-ethyl] hydrogen sulfate |
Molecular Mass | 544.338 g·mol−1 |
Heat of Formation | -1071.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.34 ± 1.08 D |
Volume | 526.92 Å 3 |
Surface Area | 399.37 Å 2 |
HOMO Energy | -9.72 ± 0.55 eV |
LUMO Energy | -0.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | GRKSCRUIKNMSSP-GLVCTKENSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H S O Br |