6-{(1E,3E,5E)-6-[(2S,3S,3As,4S,5S,6Ar)-5-Ethyl-3,4-Dihydroxy-3A,4-Dimethylhexahydrofuro[2,3-B]Furan-2-Yl]-1,3,5-Hexatrien-1-Yl}-4-Methoxy-5-Methyl-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C23H30O7
IUPAC Name 6-[(1e,3e,5e)-6-[(2s,3s,3as,4s,5s,6ar)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methyl-pyran-2-one
Molecular Mass 418.480 g·mol−1
Heat of Formation -1091.0 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 504.45 Å 3
Surface Area 422.55 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(1e,3e,5e)-6-[(2s,3s,3as,4s,5s,6ar)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[4,5-d]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methyl-2-pyranone
  • 6-[(1e,3e,5e)-6-[(2s,3s,3as,4s,5s,6ar)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[4,5-d]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methyl-pyran-2-one
  • 6-[(1e,3e,5e)-6-[(2s,3s,3as,4s,5s,6ar)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[4,5-d]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
InChIKey GPXPJKFETRLRAS-XHACWXDKSA-N
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