Methyl (1R,2R,3S,3Ar,8Bs)-6-({(2S,3R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3-Methoxy-1,4-Dioxan-2-Yl}Oxy)-1,8B-Dihydroxy-8-Methoxy-3,3A-Diphenyl-2,3,3A,8B-Tetrahydro-1H-Benzo[B]Cyclopenta[D]Furan-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C33H36O12 |
IUPAC Name | methyl (1r,2r,3s,3ar,8bs)-6-[[(2s,3r,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3,3a-diphenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate |
Molecular Mass | 624.632 g·mol−1 |
Heat of Formation | -1842.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.48 ± 1.08 D |
Volume | 707.45 Å 3 |
Surface Area | 515.64 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | 2.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | SIJMLVTZKYABDE-DQXRSYLJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |