(2S,3S,4Ar,12Br)-2,3,4A,8,12B-Pentahydroxy-3-Methyl-3,4,4A,5,6,12B-Hexahydro-1,7,12(2H)-Tetraphenetrione

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Formula C19H18O8
IUPAC Name (2s,3s,4ar,12br)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
Molecular Mass 374.341 g·mol−1
Heat of Formation -1266.1 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 393.88 Å 3
Surface Area 322.28 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4ar,12br)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[c]anthracene-1,7,12-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 3,4,4a,5,6,12b-hexahydro-2,3,4a,8,12b-pentahydroxy-3-methyl-, (2s-(2alpha,3beta,4aalpha,12balpha))-
  • sakyomicin d
CAS Number(s)
  • 86413-77-6
InChIKey UQVQAGIDTKKVTM-LULLPPNCSA-N
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