(5R,6R,7R)-5-(4-Hydroxy-3-Methoxyphenyl)-6,7-Dimethyl-5,6,7,8-Tetrahydro-2,3-Naphthalenediol

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Properties Simple | Detailed

Formula C19H22O4
IUPAC Name (1r,2r,3r)-1-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-tetralin-6,7-diol
Molecular Mass 314.376 g·mol−1
Heat of Formation -611.0 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 384.41 Å 3
Surface Area 323.36 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r)-1-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-tetralin-6,7-diol
  • (1r,2r,3r)-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethyltetralin-6,7-diol
  • (5r,6r,7r)-5-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
  • (5r,6r,7r)-5-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
  • 2,3-naphthalenediol, 5,6,7,8-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-, (5r-(5alpha,6beta,7beta))-
  • norisoguaiacin
CAS Number(s)
  • 39413-23-5
  • 50376-42-6
InChIKey OOLXLJYOMPTXOB-XCJKDKRRSA-N
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