(2'R,6S)-1,2',5',6,9,10'-Hexahydroxy-2',6-Dimethyl-2',3',6,7-Tetrahydro-2,9'-Bianthracene-4',8(1'H,5H)-Dione

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Properties Simple | Detailed

Formula C30H26O8
IUPAC Name (3r)-3,8,9-trihydroxy-3-methyl-10-[(6s)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
Molecular Mass 514.523 g·mol−1
Heat of Formation -1341.4 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 563.76 Å 3
Surface Area 453.18 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2,9'-bianthracene-4',8(1'h,5h)-dione, 2',3',6,7-tetrahydro-2',6-dimethyl-1,2',5',6,9,10'-hexahydroxy-
  • (3r)-3,8,9-trihydroxy-3-methyl-10-[(6s)-1,6,9-trihydroxy-8-keto-6-methyl-5,7-dihydroanthracen-2-yl]-2,4-dihydroanthracen-1-one
  • diast t-514
  • peroxisomicin a2
  • peroxisomicine a2
  • t 514'
CAS Number(s)
  • 156768-16-0
InChIKey FBPZAGOTWAVQJH-XZWHSSHBSA-N
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