(2R,6Ar,12Ar)-6A-Hydroxy-2-(2-Hydroxy-2-Propanyl)-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 C23H24O8
IUPAC Name (2r,6ar,12ar)-6a-hydroxy-2-(2-hydroxy-2-propanyl)-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
Molecular Mass 428.432 g·mol−1
Heat of Formation -1174.8 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 476.51 Å 3
Surface Area 399.77 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.61 ± 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-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2r-(2alpha,6aalpha,12aalpha))-
  • 1',2'-dihydro-2',6-dihydroxyrotenone
  • dh-2,6-oh-rotenone
CAS Number(s)
  • 85042-77-9
InChIKey NSFCLBVWJYYZMR-DNVFCKCGSA-N
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