(3S,3'R,5R,5'S,6S,9Cis)-3,3'-Dihydroxy-5,6-Dihydro-5,6-Epoxy-β,Kappa-Caroten-6'-One

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Properties Simple | Detailed

Formula C29H24O4
IUPAC Name 3,4-dimethylene-5-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]-6-oxabicyclo[5.1.0]oct-1(7)-en-2-one; (3-methyl-6-methylene-7-prop-1-ynyl-4h-oxepin-5-ylidene)methanone
Molecular Mass 436.498 g·mol−1
Heat of Formation 4711.5 ± 16.7 kJ·mol−1
Dipole Moment 8.14 ± 1.08 D
Volume 496.04 Å 3
Surface Area 438.64 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
InChIKey QAILMWKAKHIIHL-BMGREKGXSA-N
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Elements C O