(3Z,5S,5Ar)-8-Hexanoyl-5-Hydroxy-3-(Hydroxymethylene)-5A-Methyl-5-[(1E)-1-Propen-1-Yl]-5,5A-Dihydrofuro[2,3-E][1]Benzofuran-2,7(3H,4H)-Dione

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name (3z,5s,5ar)-8-hexanoyl-5-hydroxy-3-(hydroxymethylene)-5a-methyl-5-[(e)-prop-1-enyl]-4h-furo[2,3-e]benzofuran-2,7-dione
Molecular Mass 388.411 g·mol−1
Heat of Formation -1028.8 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 465.45 Å 3
Surface Area 371.09 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5s,5ar)-5-hydroxy-3-(hydroxymethylene)-5a-methyl-8-(1-oxohexyl)-5-[(e)-prop-1-enyl]-4h-furo[5,4-g]benzofuran-2,7-dione
  • (3z,5s,5ar)-8-caproyl-5-hydroxy-3-(hydroxymethylene)-5a-methyl-5-[(e)-prop-1-enyl]-4h-furo[5,4-g]benzofuran-2,7-quinone
  • (3z,5s,5ar)-8-hexanoyl-5-hydroxy-3-(hydroxymethylene)-5a-methyl-5-[(e)-prop-1-enyl]-4h-furo[5,4-g]benzofuran-2,7-dione
  • (3z,5s,5ar)-8-hexanoyl-5-hydroxy-3-(hydroxymethylidene)-5a-methyl-5-[(e)-prop-1-enyl]-4h-furo[5,4-g][1]benzoxole-2,7-dione
CAS Number(s)
  • 140375-37-7
InChIKey YVAYCBOTFXMCNM-UUGLDFFRSA-N
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