(5R,10As)-5-Hydroxy-8-(Hydroxymethyl)-3-Methoxy-10A-Methyl-5,6,10,10A-Tetrahydro-1,4-Anthracenedione

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Properties Simple | Detailed

Formula C17H18O5
IUPAC Name (5r,10as)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5h-anthracene-1,4-dione
Molecular Mass 302.322 g·mol−1
Heat of Formation -620.4 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 348.2 Å 3
Surface Area 299.95 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,10as)-5-hydroxy-3-methoxy-10a-methyl-8-methylol-6,10-dihydro-5h-anthracene-1,4-quinone
  • (5r,10as)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5h-anthracene-1,4-dione
  • oncocalyxone a
  • rel-8.alpha.hydroxy-5-hydroxymethyl-8a.beta.-methyl-2-methoxy-7,8,8a,9-tetrahydro-1,4-anthracenedione
InChIKey MRGIIGDGPRVYJG-WBVHZDCISA-N
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