2-[4-{[3-O-Acetyl-6-O-(2-Methyl-3-Buten-2-Yl)Hexopyranosyl]Oxy}-1,5-Dihydroxy-9-(Methoxymethyl)-6,10A-Dimethyl-1,2,4,5,6,6A,7,8,9,10A-Decahydrodicyclopenta[A,D][8]Annulen-3-Yl]Propyl Acetate
Properties
Property | Value |
---|---|
Formula | C36H56O12 |
IUPAC Name | [(2s)-2-[(1e,3r,4s,8s,9r,10r,11s,14s)-8-[(2s,3r,4s,5r,6s)-4-acetoxy-6-(1,1-dimethylallyloxymethyl)-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate |
Molecular Mass | 680.823 g·mol−1 |
Heat of Formation | -2323.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.85 ± 1.08 D |
Volume | 831.63 Å 3 |
Surface Area | 552.66 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | 0.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | KXTYBXCEQOANSX-OTMBVQFKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |