2-Cyclopenten-1-One, 3-((3As,8Ar)-3A,8A-Dihydro-4-Hydroxy-6-Methoxyfuro(2,3-B)Benzofuran-5-Yl)-

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name 3-[(3ar,8bs)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b]benzofuran-7-yl]cyclopent-2-en-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -579.9 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 315.96 Å 3
Surface Area 286.14 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclopenten-1-one, 3-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro(2,3-b)benzofuran-5-yl)-, (3as-cis)-
  • 3-[(3ar,8bs)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzoxol-7-yl]cyclopent-2-en-1-one
  • 3-[(3ar,8bs)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b]benzofuran-7-yl]-1-cyclopent-2-enone
  • 3-[(3ar,8bs)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b]benzofuran-7-yl]cyclopent-2-en-1-one
  • aflatoxin d1
CAS Number(s)
  • 53701-28-3
  • 52373-83-8
InChIKey JRUMBKYTDKXCJC-MGPLVRAMSA-N
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