(5R,5'R,6R,6'R,10Ar,10A'R)-1,1',5,5',9,9'-Hexahydroxy-10A,10A'-Bis(Hydroxymethyl)-6,6'-Dimethyl-5,5',6,6',7,7',10A,10A'-Octahydro-8H,8'H-4,4'-Bixanthene-8,8'-Dione

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Properties Simple | Detailed

Formula C30H30O12
IUPAC Name (3r,4r,4ar)-5-[(5r,6r,10ar)-1,5,9-trihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5h-xanthen-4-yl]-4,8,9-trihydroxy-4a-(hydroxymethyl)-3-methyl-3,4-dihydro-2h-xanthen-1-one
Molecular Mass 582.552 g·mol−1
Heat of Formation -2054.2 ± 16.7 kJ·mol−1
Dipole Moment 0.68 ± 1.08 D
Volume 627.33 Å 3
Surface Area 460.62 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C2
Synonyms
  • (3r,4r,4ar)-5-[(5r,6r,10ar)-1,5,9-trihydroxy-8-keto-6-methyl-10a-methylol-6,7-dihydro-5h-xanthen-4-yl]-4,8,9-trihydroxy-3-methyl-4a-methylol-3,4-dihydro-2h-xanthen-1-one
InChIKey HDXCVYGAXUUIOZ-XLXCAQMQSA-N
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