Asteroidenone

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Properties Simple | Detailed

Formula C40H54O2
IUPAC Name 3,4-dimethylene-2-[(2-prop-1-ynylcyclopropylidene)methylene]bicyclo[4.1.0]hept-1(6)-en-5-one; 4-ethynyl-5-[2-(2-methylcyclopropen-1-yl)ethynyl]-6-methylene-cyclohexa-2,4-dien-1-one
Molecular Mass 566.856 g·mol−1
Heat of Formation -162.6 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 800.94 Å 3
Surface Area 677.14 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-hydroxyechinenone
  • 3'-hydroxyechinenone/ 3'-oh-echinenone
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
  • 3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
  • lmpr01070098
InChIKey ZRCXVNZZDQGBQT-BANQPSJHSA-N
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