(2S,3R)-2,3,5-Trihydroxy-7-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-9,10-Anthracenedione

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Properties Simple | Detailed

Formula C16H16O6
IUPAC Name (2r,3s)-2,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
Molecular Mass 304.295 g·mol−1
Heat of Formation -953.8 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 333.68 Å 3
Surface Area 296.52 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
  • (2r,3s)-2,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-quinone
  • 3,7-dihydroxy-2',5-dimethoxy-6'-methylspiro(benzofuran-2(3h),1'-(2,5)cyclohexadien)-4'-one
  • 9,10-anthracenedione, 1,2,3,4-tetrahydro-2,3,5-trihydroxy-7-methoxy-2-methyl-, (2s,3r)-
  • 9,10-anthracenedione, 1,2,3,4-tetrahydro-2,3,5-trihydroxy-7-methoxy-2-methyl-, (2s-cis)-
  • dactylarin
CAS Number(s)
  • 22350-90-9
  • 52212-96-1
InChIKey AAHQQIFXAQHGBD-WBMJQRKESA-N
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