Phaseolinone

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Properties Simple | Detailed

Formula C15H20O5
IUPAC Name (1as,6r,7r,7ar,7br)-6-hydroxy-1a-[(2r)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4h-naphtho[1,2-b]oxiren-2-one
Molecular Mass 280.316 g·mol−1
Heat of Formation -655.2 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 329.02 Å 3
Surface Area 272.53 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • naphth(1,2-b)oxiren-2(1ah)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-((2r)-2-(hydroxymethyl)oxiranyl)-7,7a-dimethyl-, (1as,6r,7r,7ar,7br)-
CAS Number(s)
  • 85431-61-4
InChIKey DDKJQSAECJSUNP-OCZRQZLOSA-N
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