(2R,6As,12Ar)-6A-Hydroxy-2-Isopropenyl-8,9-Dimethoxy-1,2,12,12A-Tetrahydrochromeno[3,4-B]Furo[2,3-H]Chromen-6(6Ah)-One

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Properties Simple | Detailed

Formula C23H22O7
IUPAC Name (2r,6as,12ar)-6a-hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
Molecular Mass 410.417 g·mol−1
Heat of Formation -861.4 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 455.63 Å 3
Surface Area 391.11 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-6a-hydroxy-2-(1-methylethenyl)-, (2r-(2-alpha,6a-beta,12a-alpha))-
  • 6a-beta,12a-alpha,5'-beta-rotenolone
  • 6a-beta,12a-alpha-rotenolone
  • rotenolon ii
  • rotenolone ii
  • trans-12a-hydroxyrotenone
InChIKey JFVKWCYZKMUTLH-LQNXUBFPSA-N
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