Rhabdastrellic Acid A

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Properties Simple | Detailed

Formula C28H18O4
IUPAC Name (3s)-7-[2-[2-[2-[2-(dioxiran-3-yl)ethynyl]cyclopropen-1-yl]ethynyl]cyclopropen-1-yl]-2,6,11-trimethylene-spiro[2.8]undeca-4,9-diyn-8-one; prop-1-yn-1-ol
Molecular Mass 418.440 g·mol−1
Heat of Formation -672.6 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 606.41 Å 3
Surface Area 486.19 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e)-10-[(3as,5ar,9ar,9bs)-2,7-diketo-3a,6,6,9a-tetramethyl-4,5,5a,8,9,9b-hexahydro-1h-benzo[e]inden-3-ylidene]-2,6-dimethyl-undeca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e,10e)-10-[(3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-2,7-dioxo-4,5,5a,8,9,9b-hexahydro-1h-benzo[e]inden-3-ylidene]-2,6-dimethyl-undeca-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e,10e)-10-[(3as,5ar,9ar,9bs)-3a,6,6,9a-tetramethyl-2,7-dioxo-4,5,5a,8,9,9b-hexahydro-1h-benzo[e]inden-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid
InChIKey IIPLLKSCMYHUOP-YTGOKTRFSA-N
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