6-{(1E,3E,5E)-6-[(2R,3R,3Ar,4R,5R,6As)-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

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30O7
IUPAC Name 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-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 -1059.6 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 501.55 Å 3
Surface Area 443.18 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyran-2-one, 6-(6-(hexahydro-3,4-dihydroxy-3a,4-dimethyl-5-ethylfuro(2,3-b)furan-2-yl)-1,3,5-hexatrienyl)-4-methoxy-5-methyl-, (2r-(2-alpha(1e,3e,5e),3-alpha,3a-beta,4-beta,5-beta,6a-beta))-
  • 6-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-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-[(2r,3r,3ar,4r,5r,6as)-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-[(2r,3r,3ar,4r,5r,6as)-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
  • 6-[6-[(2r,3r,3ar,4r,5r,6as)-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-[6-[(2r,3r,3ar,4r,5r,6as)-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-[6-[(2r,3r,3ar,4r,5r,6as)-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
  • cbiol_001049
  • ev-toxin
  • iccb4_000345
CAS Number(s)
  • 79663-49-3
InChIKey GPXPJKFETRLRAS-AHUKKWBBSA-N
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