(3R,4Ar,5As,6As,7As,7Bs)-2,2-Dimethyl-6A-(3-Methyl-3-Buten-1-Yn-1-Yl)-6-Oxohexahydro-2H,5Ah-Bisoxireno[E,H]Chromen-3-Yl Acetate

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Properties Simple | Detailed

Formula C18H20O6
IUPAC Name (3r,4ar,5as,6as,7as,7bs)-2,2-dimethyl-6a-(3-methyl-3-buten-1-yn-1-yl)-6-oxohexahydro-2h,5ah-bisoxireno[e,h]chromen-3-yl acetate
Molecular Mass 332.348 g·mol−1
Heat of Formation -410.0 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 391.44 Å 3
Surface Area 339.73 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,5ah-bisoxireno(e,h)-1-benzopyran-6(6ah)-one, tetrahydro-3-(acetyloxy)-2,2-dimethyl-6a-(3-methyl-3-buten-1-ynyl)-, (3-alpha,4ar*,5a-alpha,6a-alpha,7a-alpha,7b-beta)-, (-)-
  • oxirapentyn
CAS Number(s)
  • 88205-90-7
InChIKey UDLWCNHPUOUNNV-OYPOXQCJSA-N
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