Dimethyl (5S,5'S,10As,10A'S)-1,1',5,5',9,9'-Hexahydroxy-3,3'-Dimethyl-8,8'-Dioxo-5,5',6,6',7,7',8,8'-Octahydro-10Ah,10A'H-2,2'-Bixanthene-10A,10A'-Dicarboxylate

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Properties Simple | Detailed

Formula C32H30O14
IUPAC Name methyl (4s,4as)-7-[(5s,10as)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
Molecular Mass 638.572 g·mol−1
Heat of Formation -2239.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 680.11 Å 3
Surface Area 542.65 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C2
Synonyms
  • (4s,4as)-7-[(5s,10as)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylic acid methyl ester
  • (4s,4as)-7-[(5s,10as)-10a-carbomethoxy-1,5,9-trihydroxy-8-keto-3-methyl-6,7-dihydro-5h-xanthen-2-yl]-4,8,9-trihydroxy-1-keto-6-methyl-3,4-dihydro-2h-xanthene-4a-carboxylic acid methyl ester
  • methyl (4s,4as)-7-[(5s,10as)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5h-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
InChIKey FCBFXINPLHGRFE-WOQPHPHSSA-N
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