Methyl 4-Hydroxy-3-[(2S,3S)-6-Hydroxy-2-(2-Hydroxy-2-Propanyl)-4-Methoxy-7-(3-Phenylpropanoyl)-2,3-Dihydro-1-Benzofuran-3-Yl]Benzoate

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Properties Simple | Detailed

Formula C29H30O8
IUPAC Name methyl 4-hydroxy-3-[(2s,3s)-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydrobenzofuran-3-yl]benzoate
Molecular Mass 506.544 g·mol−1
Heat of Formation -1217.5 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 591.04 Å 3
Surface Area 497.61 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-3-[(2s,3s)-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydrobenzofuran-3-yl]benzoic acid methyl ester
  • 4-hydroxy-3-[(2s,3s)-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-(1-oxo-3-phenylpropyl)-2,3-dihydrobenzofuran-3-yl]benzoic acid methyl ester
  • methyl 4-hydroxy-3-[(2s,3s)-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydrobenzofuran-3-yl]benzoate
  • piperaduncin b
CAS Number(s)
  • 155023-55-5
InChIKey KGNWKZGVYSTAOX-HOFKKMOUSA-N
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