Methyl 7-Hydroxy-3-(Hydroxymethyl)-6-Oxo-6H-Oxepino[2,3-B]Chromene-5-Carboxylate

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Properties Simple | Detailed

Formula C16H13O7+
IUPAC Name methyl 7-hydroxy-3-(hydroxymethyl)-6-oxo-oxepino[2,3-b]chromene-5-carboxylate
Molecular Mass 317.270 g·mol−1
Heat of Formation -881.5 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 331.44 Å 3
Surface Area 296.64 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 7-hydroxy-3-(hydroxymethyl)-6-oxo-5-oxepino[2,3-b]chromenecarboxylic acid methyl ester
  • 7-hydroxy-6-keto-3-methylol-oxepino[2,3-b]chromene-5-carboxylic acid methyl ester
  • fusidienol
  • methyl 7-hydroxy-3-(hydroxymethyl)-6-oxooxepino[2,3-b]chromene-5-carboxylate
CAS Number(s)
  • 157173-61-0
InChIKey LJNGMSGIOXTZLN-UHFFFAOYSA-N
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