(5S,5Ar,8Ar,9R)-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-8-Oxo-5,5A,6,8,8A,9-Hexahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-5-Yl 4,6-O-(2-Thienylmethylene)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C32H32O13S
IUPAC Name (5s,5ar,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Mass 656.654 g·mol−1
Heat of Formation -1780.3 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 700.43 Å 3
Surface Area 560.24 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-o-[(r)-2-thienylmethylene]-.beta.-d-glucopyranosyl]oxy]-, (5r,5ar,8ar,9s)-
InChIKey NRUKOCRGYNPUPR-QBPJDGROSA-N
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