9,10-Secocholesta-5(10),6,8-Triene-1,3-Diyl Diacetate
Properties
Property | Value |
---|---|
Formula | C31H48O4 |
IUPAC Name | (3s)-5-[2-[6-[2-(2-methylcyclopropen-1-yl)ethynyl]-9-methylene-cycloundeca-1,2,4,5-tetraen-7,10-diyn-1-yl]ethynyl]-4-methylene-7-(oxomethylene)spiro[8-oxabicyclo[4.2.0]oct-5-ene-3,4'-oxetane]-2'-one |
Molecular Mass | 484.710 g·mol−1 |
Heat of Formation | 3692.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.91 ± 1.08 D |
Volume | 501.57 Å 3 |
Surface Area | 443.17 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -2.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | YLYNCPGDKZTDMI-YOSHMETMSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |