(1R,3R,3Ar,11Ar,13Br)-3A,11,11,13B-Tetramethyl-3-{(1S)-1-[(2R)-5-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]Ethyl}-9-Oxo-1,2,3,3A,4,5,9,11,11A,12,13,13B-Dodecahydroindeno[5',4':4,5]Cyclohepta[1,2-C]Oxepin-1-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C32H42O6 |
IUPAC Name | (1r,3r,3ar,11ar,13br)-3a,11,11,13b-tetramethyl-3-{(1s)-1-[(2r)-5-methyl-6-oxo-3,6-dihydro-2h-pyran-2-yl]ethyl}-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta[1,2-c]oxepin-1-yl acetate |
Molecular Mass | 522.672 g·mol−1 |
Heat of Formation | -1063.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.44 ± 1.08 D |
Volume | 650.02 Å 3 |
Surface Area | 490.81 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | 2.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | BKBKEBSSMOWKJE-JSSNICEJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |