(6S,9As)-6-(Hydroxymethyl)-3-[(1Z,4E,6E,8E)-1-Hydroxy-3-Oxo-1,4,6,8-Decatetraen-1-Yl]-9A-Methyl-5,6-Dihydro-2H-Furo[3,2-G]Isochromene-2,9(9Ah)-Dione

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Properties Simple | Detailed

Formula C23H22O7
IUPAC Name (6s,9as)-6-(hydroxymethyl)-3-[(1z,4e,6e,8e)-1-hydroxy-3-oxo-deca-1,4,6,8-tetraenyl]-9a-methyl-5,6-dihydrofuro[3,2-g]isochromene-2,9-dione
Molecular Mass 410.417 g·mol−1
Heat of Formation -821.2 ± 16.7 kJ·mol−1
Dipole Moment 10.83 ± 1.08 D
Volume 474.09 Å 3
Surface Area 433.13 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9as)-3-[(1z,4e,6e,8e)-1-hydroxy-3-keto-deca-1,4,6,8-tetraenyl]-9a-methyl-6-methylol-5,6-dihydrofuro[4,5-g]isochromene-2,9-quinone
  • (6s,9as)-6-(hydroxymethyl)-3-[(1z,4e,6e,8e)-1-hydroxy-3-oxo-deca-1,4,6,8-tetraenyl]-9a-methyl-5,6-dihydrofuro[4,5-g]isochromene-2,9-dione
  • (6s,9as)-6-(hydroxymethyl)-3-[(1z,4e,6e,8e)-1-hydroxy-3-oxodeca-1,4,6,8-tetraenyl]-9a-methyl-5,6-dihydrofuro[4,5-g]isochromene-2,9-dione
InChIKey JKMBMIMLVFMXRW-LYYFRFARSA-N
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