(1R,9R,10R,12R)-1-Hydroxy-3,5-Dimethoxy-9-(4-Methoxyphenyl)-11-({(2S)-2-[(2-Methylbutanoyl)Amino]-1-Pyrrolidinyl}Carbonyl)-10-Phenyl-8-Oxatricyclo[7.2.1.0~2,7~]Dodeca-2,4,6-Trien-12-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C38H44N2O9 |
IUPAC Name | [(1r,9r,10r,12s)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-[(2s)-2-(2-methylbutanoylamino)pyrrolidine-1-carbonyl]-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate |
Molecular Mass | 672.764 g·mol−1 |
Heat of Formation | 3142.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.54 ± 1.08 D |
Volume | 637.2 Å 3 |
Surface Area | 499.57 Å 2 |
HOMO Energy | -8.00 ± 0.55 eV |
LUMO Energy | -3.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | HCNJABPCRMQADU-VRFNKKFKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |