(3R,4S,5S,6S)-4-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]-1-Oxaspiro[2.5]Octane-5,6-Diol

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Properties Simple | Detailed

Formula C15H24O4
IUPAC Name (3r,4s,5s,6s)-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
Molecular Mass 268.349 g·mol−1
Heat of Formation -607.7 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 339.69 Å 3
Surface Area 279.01 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6s)-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-1-oxaspiro[2.5]octane-5,6-diol
  • (3r,4s,5s,6s)-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
  • 1-oxaspiro(2.5)octane-5,6-diol, 4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-
  • 4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)octane-5,6-diol
  • fr 65814
CAS Number(s)
  • 103470-60-6
InChIKey XHJZPJUIAUGGML-ZYIYBEKCSA-N
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