Monocerin

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Properties Simple | Detailed

Formula C16H20O6
IUPAC Name (2s,3ar,9br)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
Molecular Mass 308.326 g·mol−1
Heat of Formation -995.5 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 355.18 Å 3
Surface Area 292.74 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-furo(3,2-c)(2)benzopyran-5-one, 2,3,3a,9b-tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-, (2s-(2alpha,3abeta,9bbeta))-
  • acon0_000652
  • acon1_001243
  • megxm0_000272
CAS Number(s)
  • 30270-60-1
InChIKey VAYQNUBOZLPGDH-OLXJLDBKSA-N
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