3-({(1S,2R,4As,6R,8S)-2-[(2E)-2-Buten-2-Yl]-6,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl}Carbonyl)-5-Butoxy-5-Methyl-1,5-Dihydro-2H-Pyrrol-2-One
Properties
Property | Value |
---|---|
Formula | C26H39NO3 |
IUPAC Name | (5s)-3-[(1s,2r,4as,6r,8s,8ar)-6,8-dimethyl-2-[(e)-1-methylprop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-butoxy-5-methyl-1h-pyrrol-2-one |
Molecular Mass | 413.593 g·mol−1 |
Heat of Formation | -598.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.88 ± 1.08 D |
Volume | 548.97 Å 3 |
Surface Area | 416.43 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 2.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | GWCZUVDYXOILJA-LTWNWVHTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |