Methyl (2R,3R,3'R)-3-[(2,6-Dideoxy-3-O-Methyl-α-L-Ribo-Hexopyranosyl)Oxy]-3',4,9,10'-Tetrahydroxy-7-Methoxy-5,8,9'-Trioxo-4',5,8,9'-Tetrahydro-3H,3'H-Spiro[Naphtho[2,3-B]Furan-2,2'-Pyrano[4,3-G]Chromene]-7'-Carboxylate

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Formula C33H30O17
IUPAC Name methyl (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylate
Molecular Mass 698.581 g·mol−1
Heat of Formation -2549.2 ± 16.7 kJ·mol−1
Dipole Moment 9.51 ± 1.08 D
Volume 722.2 Å 3
Surface Area 598.35 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5',8',9-triketo-7'-methoxy-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylic acid methyl ester
  • (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-7'-methoxy-5',8',9-trioxo-7-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]carboxylic acid methyl ester
  • methyl (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f][1]benzoxole]-7-carboxylate
  • methyl (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylate
  • methyl (2r,3r,3'r)-3,4',9',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f][1]benzoxole]-7-carboxylate
InChIKey MLFZQFHGXSVTGX-MCTZXALVSA-N
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