Methyl [(2R,3R,12S)-2-(3,4-Dihydroxyphenyl)-3,5,9,10-Tetrahydroxy-3,4-Dihydro-2H,12H-Pyrano[2,3-A]Xanthen-12-Yl]Acetate

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Formula C25H22O10
IUPAC Name methyl 2-[(2r,3r,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydropyrano[2,3-a]xanthen-12-yl]acetate
Molecular Mass 482.436 g·mol−1
Heat of Formation -1503.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 528.12 Å 3
Surface Area 420.77 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,3r,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydropyrano[6,5-a]xanthen-12-yl]acetic acid methyl ester
  • methyl 2-[(2r,3r,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydropyrano[6,5-a]xanthen-12-yl]acetate
  • methyl 2-[(2r,3r,12s)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3,4,12-tetrahydropyrano[6,5-a]xanthen-12-yl]ethanoate
InChIKey XECJBJHITROSPL-WSONZKGWSA-N
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