(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 2-Deoxy-2-(Dimethylamino)-4,6-O-[(1R)-Ethylidene]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C31H37NO12
IUPAC Name (5s,5ar,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7-(dimethylamino)-8-hydroxy-2-methyl-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 615.625 g·mol−1
Heat of Formation -1791.3 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 680.28 Å 3
Surface Area 530.89 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7-dimethylamino-8-hydroxy-2-methyl-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-dimethylamino-8-hydroxy-2-methyl-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
InChIKey ZKSNZYLCOXUJIR-VOKUKXJJSA-N
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