(1R,2S,4Ar,12Ar)-3-Acetyl-4A-{[(2S,5S,6S)-5-Glycoloyl-5-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-1,2,6,7-Tetrahydroxy-2,4A,12,12A-Tetrahydro-5(1H)-Tetracenone

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Properties Simple | Detailed

Formula C28H30O11
IUPAC Name (1r,2s,4ar,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[(2s,5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-tetrahydropyran-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one
Molecular Mass 542.531 g·mol−1
Heat of Formation -1797.5 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 597.6 Å 3
Surface Area 459.92 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,4ar,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[(2s,5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-tetrahydropyran-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one
  • (1r,2s,4ar,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[(2s,5s,6s)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyloxan-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one
  • (1r,2s,4ar,12ar)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[[(2s,5s,6s)-5-hydroxy-5-(2-hydroxy-1-oxoethyl)-6-methyl-2-tetrahydropyranyl]oxy]-1,2,12,12a-tetrahydrotetracen-5-one
  • (1r,2s,4ar,12ar)-3-acetyl-4a-[(2s,5s,6s)-5-glycoloyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,6,7-tetrahydroxy-1,2,12,12a-tetrahydrotetracen-5-one
  • (1r,2s,4ar,12ar)-3-ethanoyl-1,2,6,7-tetrahydroxy-4a-[(2s,5s,6s)-5-hydroxy-5-(2-hydroxyethanoyl)-6-methyl-oxan-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one
  • 5(1h)-naphthacenone, 2,4a,12,12a-tetrahydro-3-acetyl-4a-((tetrahyro-5-hydroxy-5(hydroxyacetyl)-6-methyl-2h-pyran-2-yl)oxy)-1,2,6,7-tetrahydroxy-, (1r-(1-alpha,2-alpha,4a-alpha(2s*,5s*,6s*),12a-alpha))-
  • pillaromycin-a
InChIKey XMNPIXXDFQBHOJ-CCQMQQQZSA-N
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