(1S,4S,5As,5Br,7As,11As,11Br,13As,13Bs)-5B,8,8,11A,13A-Pentamethyl-13-Oxo-1,4,5,5A,5B,6,7,7A,8,9,10,11,11A,11B,12,13,13A,13B-Octadecahydrochryseno[1,2-C]Furan-1,4-Diyl Diacetate
Properties
Property | Value |
---|---|
Formula | C29H42O6 |
IUPAC Name | [(1s,4s,5as,5br,7as,11as,11br,13as,13bs)-1-acetoxy-5b,8,8,11a,13a-pentamethyl-13-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13b-dodecahydro-1h-phenanthro[2,1-e]isobenzofuran-4-yl] acetate |
Molecular Mass | 486.640 g·mol−1 |
Heat of Formation | -1254.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.81 ± 1.08 D |
Volume | 594.05 Å 3 |
Surface Area | 454.57 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 3.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | IYYLJWDVZZTHJT-AARRLEOQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |