Asparacosin B

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Properties Simple | Detailed

Formula C26H16O6
IUPAC Name 2-[[2,3-bis(4-hydroxybuta-1,3-diynyl)-4-methyl-6-methylene-5-oxo-cyclohex-3-en-1-ylidene]methylene]-4-methylene-5-prop-1-ynyl-tetrahydrofuran-3-one; formaldehyde
Molecular Mass 424.402 g·mol−1
Heat of Formation -1341.3 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 607.21 Å 3
Surface Area 458.49 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 4.28 ± eV
Point Group Symmetry C1
InChIKey FJZMHTUXQXEAPK-RSLKRIGASA-N
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Elements H C O