(3S,5Z)-9,10-Secocholesta-5,7,10-Trien-3-Yl Butyrate

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Properties Simple | Detailed

Formula C31H28O2
IUPAC Name but-1-yn-1-olate; (5z)-4-methylene-5-[2-[3-methyl-2-[2-[2-[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropen-1-yl]ethynyl]benzene-4,5,6-triid-1-yl]ethylidene]cyclohex-2-en-1-one
Molecular Mass 432.553 g·mol−1
Heat of Formation 5071.4 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 437.71 Å 3
Surface Area 343.54 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -2.93 ± eV
Point Group Symmetry C1
InChIKey QUUDUVNKJWQDFG-NMTNLUFNSA-N
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