Agastinol

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Properties Simple | Detailed

Formula C27H28O8
IUPAC Name [(2r,3s,4s)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
Molecular Mass 480.506 g·mol−1
Heat of Formation -1156.5 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 561.5 Å 3
Surface Area 441.6 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxybenzoic acid [(2r,3s,4s)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-tetrahydrofuranyl]methyl ester
  • 4-hydroxybenzoic acid [(2r,3s,4s)-4-(4-hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxy-phenyl)tetrahydrofuran-3-yl]methyl ester
  • [(2r,3s,4s)-2-(4-hydroxy-3-methoxy-phenyl)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
  • [(2r,3s,4s)-2-(4-hydroxy-3-methoxy-phenyl)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-3-yl]methyl 4-hydroxybenzoate
InChIKey GFXHOKACHHWSQG-KCPMXOJXSA-N
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