9,10-Secocholesta-5(10),6,8-Triene-1,3-Diyl Diacetate

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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
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