Methyl (1A'S,1B'R,2S,5'S,5A'S,6A'S)-4-(4-Hydroxy-3-Methoxybenzoyl)-5-Oxo-5'-(α-L-Talopyranosyloxy)-1A',5',5A',6A'-Tetrahydro-1B'H,5H-Spiro[Furan-2,6'-Oxireno[3,4]Cyclopenta[1,2-C]Pyran]-2'-Carboxylate

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Properties Simple | Detailed

Formula C27H28O15
IUPAC Name methyl (1r,2s,4s,5s,6s,7s)-4'-(4-hydroxy-3-methoxy-benzoyl)-5'-oxo-7-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-furan]-10-carboxylate
Molecular Mass 592.502 g·mol−1
Heat of Formation -2208.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 621.68 Å 3
Surface Area 466.38 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
Synonyms
  • methyl rel-(1a'r,2r,5'r,6a'r)-5'-(hexopyranosyloxy)-4-(4-hydroxy-3-methoxybenzoyl)-5-oxo-1a',5',5a',6a'-tetrahydro-1b'h,5h-spiro[furan-2,6'-oxireno[3,4]cyclopenta[1,2-c]pyran]-2'-carboxylate
  • spiro[furan-2(5h),6'(5'h)-oxireno[3,4]cyclopenta[1,2-c]pyran]-2'-carboxylic acid, 5'-(hexopyranosyloxy)-1'a,1'b,5'a,6'a-tetrahydro-4-(4-hydroxy-3-methoxybenzoyl)-5-oxo-, methyl ester, (1a's,2s,5's,6a'
InChIKey KAKHKTCZSFQJKF-KOQIAMCDSA-N
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