(2S,3R,4As,12Br)-2,3,4A,8-Tetrahydroxy-12B-{[(2R,5R,6R)-5-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-3-Methyl-3,4,4A,12B-Tetrahydro-1,7,12(2H)-Tetraphenetrione

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Formula C25H26O10
IUPAC Name (2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Molecular Mass 486.468 g·mol−1
Heat of Formation -1575.8 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 519.15 Å 3
Surface Area 385.89 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-oxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-[(2r,5r,6r)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • (2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-[[(2r,5r,6r)-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8-tetrahydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)oxy)-, (2s-(2alpha,3beta,4aalpha,12balpha(2s*,5s*,6s*)))-
  • benz[a]anthracene-1,7,12(2h)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8-tetrahydroxy-3-methyl-12b-[[2r,5r,6r)-tetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl]oxy]-,(2s,3r,4as,12br)-
  • sakyomicin a
CAS Number(s)
  • 86413-75-4
InChIKey CKZNKYSWWCSICZ-FYJHTGLRSA-N
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