(2R,6As,12As)-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 (1s,6r,13s)-13-hydroxy-6-isopropenyl-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Molecular Mass 410.417 g·mol−1
Heat of Formation -883.0 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 460.27 Å 3
Surface Area 387.29 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.59 ± 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-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2r-(2alpha,6abeta,12abeta))-
  • 12-hydroxyrotenone
  • 6alpha(beta),12alpha(beta)-rotenolone
CAS Number(s)
  • 16431-42-8
  • 33987-33-6
InChIKey JFVKWCYZKMUTLH-CGYQNGNCSA-N
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