Methyl 1-(3,4-Dimethoxyphenyl)-3-(3-Ethylpentanoyl)-4-Hydroxy-6,7,8-Trimethoxy-2-Naphthoate

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Properties Simple | Detailed

Formula C30H36O9
IUPAC Name methyl 1-[3,4-di(methoxy)benzene-5-id-1-yl]-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-tri(methoxy)naphthalene-2-carboxylate
Molecular Mass 540.601 g·mol−1
Heat of Formation -1350.4 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 642.67 Å 3
Surface Area 499.12 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylic acid methyl ester
  • 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxy-naphthalene-2-carboxylic acid methyl ester
  • 2-naphthalenecarboxylic acid, 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-, methyl ester
  • methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
  • methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
  • methyl-1-(3,4-dimethoxyphenyl)-3-(3-ethylvaleryl)-4-hydroxy-6,7,8-trimethoxy-2-naphthoate
  • s 8921
  • s-8921
CAS Number(s)
  • 151165-96-7
InChIKey QEJQEIIPZKQCNP-UHFFFAOYSA-N
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