(5R,5'R,6R,6'R,10Ar,10A'R)-1,1',9,9'-Tetrahydroxy-10A,10A'-Bis(Hydroxymethyl)-6,6'-Dimethyl-8,8'-Dioxo-5,5',7,7',8,8',10A,10A'-Octahydro-6H,6'H-2,2'-Bixanthene-5,5'-Diyl Diacetate

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Properties Simple | Detailed

Formula C34H34O14
IUPAC Name [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetoxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2h-xanthen-4-yl] acetate
Molecular Mass 666.625 g·mol−1
Heat of Formation -2422.4 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 724.74 Å 3
Surface Area 553.33 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetoxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2h-xanthen-4-yl] acetate
  • [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2h-xanthen-4-yl] acetate
  • [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2h-xanthen-4-yl] ethanoate
  • acetic acid [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetoxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-3,4-dihydro-2h-xanthen-4-yl] ester
  • acetic acid [(3r,4r,4ar)-7-[(5r,6r,10ar)-5-acetoxy-1,9-dihydroxy-8-keto-6-methyl-10a-methylol-6,7-dihydro-5h-xanthen-2-yl]-8,9-dihydroxy-1-keto-3-methyl-4a-methylol-3,4-dihydro-2h-xanthen-4-yl] ester
InChIKey KMPJMYCHERZRLM-FNCICBJWSA-N
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