(5S,6R,7S,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-Dimethoxy-7,7'-Dimethyl-5,6,7,8-Tetrahydro-1,1'-Bianthracene-9,9',10,10'-Tetrone

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Properties Simple | Detailed

Formula C32H26O13
IUPAC Name 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]anthracene-9,10-dione
Molecular Mass 618.541 g·mol−1
Heat of Formation -1852.4 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 652.38 Å 3
Surface Area 498.9 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-bianthracene)-9,9',10,10'-tetrone, 5,6,7,8-tetrahydro-4,4',5,6,6',7,8-heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, stereoisomer
  • 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]anthracene-9,10-dione
  • 4,6-dihydroxy-2-methoxy-7-methyl-1-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-9,10-diketo-2-methoxy-7-methyl-6,8-dihydro-5h-anthracen-1-yl]-9,10-anthraquinone
  • alterporriol a
CAS Number(s)
  • 113531-87-6
InChIKey YHXUFRJJYFYRSH-BVEPWEIPSA-N
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