2,5:3,4-Dianhydro-1,6-Dideoxy-2-{(1E,3E)-4-[(2S,3R)-3-(4-Methoxy-3,5-Dimethyl-2-Oxo-2H-Pyran-6-Yl)-3-Methyl-2-Oxiranyl]-2-Methyl-1,3-Pentadien-1-Yl}-4-Methyl-D-Altritol

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Properties Simple | Detailed

Formula C24H33O6+
IUPAC Name 6-[(2r,3s)-3-[(1e,3e)-1,3-dimethyl-4-[(1s,2s,4r,5r)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]buta-1,3-dienyl]-2-methyl-oxiran-2-yl]-4-methoxy-3,5-dimethyl-pyran-2-one
Molecular Mass 417.515 g·mol−1
Heat of Formation -754.9 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 527.62 Å 3
Surface Area 427.72 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyran-2-one, 6-(3-(1,3-dimethyl-4-(2,4,5-trimethyl-3,6-dioxabicyclo(3.1.0)hex-2-yl)-1,3-butadienyl)-2-methyloxiranyl)-4-methoxy-3,5-dimethyl-, (1s-(1alpha,2alpha(1e(2s*,3r*),4alpha,5alpha)))-
  • 4-methoxy-3,5-dimethyl-6-[(2r,3s)-2-methyl-3-[(2e,4e)-4-methyl-5-[(1r,2r,4s,5s)-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl]penta-2,4-dien-2-yl]oxiran-2-yl]pyran-2-one
  • 6-[(2r,3s)-3-[(1e,3e)-1,3-dimethyl-4-[(1r,2r,4s,5s)-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl]buta-1,3-dienyl]-2-methyl-2-oxiranyl]-4-methoxy-3,5-dimethyl-2-pyranone
  • 6-[(2r,3s)-3-[(1e,3e)-1,3-dimethyl-4-[(1r,2r,4s,5s)-1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl]buta-1,3-dienyl]-2-methyl-oxiran-2-yl]-4-methoxy-3,5-dimethyl-pyran-2-one
  • d-altritol, 2,5:3,4-dianhydro-1,6-dideoxy-2-c-((1e,3e)-4-((2s,3r)-3-(4-methoxy-3,5-dimethyl-2-oxo-2h-pyran-6-yl)-3-methyloxiranyl)-2-methyl-1,3-pentadienyl)-4-c-methyl-
  • verrucosidin
CAS Number(s)
  • 88389-71-3
InChIKey JSVLNARHSWZARV-FOOXNAEUSA-N
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