(1S,2R,3S)-1-(3,4-Dimethoxyphenyl)-6,7-Dimethoxy-2,3-Dimethyl-1,2,3,4-Tetrahydronaphthalene

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Properties Simple | Detailed

Formula C22H28O4
IUPAC Name (1s,2r,3s)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-tetralin
Molecular Mass 356.455 g·mol−1
Heat of Formation -542.4 ± 16.7 kJ·mol−1
Dipole Moment 0.58 ± 1.08 D
Volume 451.7 Å 3
Surface Area 373.07 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-tetralin
  • (1s,2r,3s)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyltetralin
  • isogalbulin
CAS Number(s)
  • 521-55-1
InChIKey WYBOVISLCPAJFV-VVYDWRJNSA-N
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