4-(Decanoyloxy)-5-Methyl-7-Oxo-8-(3-Oxo-1-Propen-2-Yl)-3,4,4A,5,6,7,8,8A-Octahydro-2-Naphthalenecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C25H36O6 |
IUPAC Name | (4s,4ar,5r,8r,8ar)-4-decanoyloxy-8-(1-formylvinyl)-5-methyl-7-oxo-4,4a,5,6,8,8a-hexahydro-3h-naphthalene-2-carboxylic acid |
Molecular Mass | 432.550 g·mol−1 |
Heat of Formation | -1198.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.01 ± 1.08 D |
Volume | 552.57 Å 3 |
Surface Area | 403.02 Å 2 |
HOMO Energy | -10.03 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | VCPVUAOJECJROT-VEVIYWHPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |