3-[(1R,2S,3S)-6-Isopropylidene-2,3-Dimethyl-2-{[(2-Oxo-2H-Chromen-7-Yl)Oxy]Methyl}Cyclohexyl]Propanoic Acid

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Properties Simple | Detailed

Formula C24H30O5
IUPAC Name 3-[(1r,2s,3s)-6-isopropylidene-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]cyclohexyl]propanoic acid
Molecular Mass 398.492 g·mol−1
Heat of Formation -875.2 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 493.56 Å 3
Surface Area 393.72 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclohexene-1-butanoic acid, 6-(((2-oxo-2h-1-benzopyran-7-yl)oxy)methyl)-alpha,2,3,6-tetramethyl-
  • 3-[(1r,2s,3s)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidene-cyclohexyl]propanoic acid
  • 3-[(1r,2s,3s)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoic acid
  • 3-[(1r,2s,3s)-6-isopropylidene-2,3-dimethyl-2-[(2-oxo-7-chromenyl)oxymethyl]cyclohexyl]propanoic acid
  • 3-[(1r,2s,3s)-6-isopropylidene-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]cyclohexyl]propanoic acid
  • 3-[(1r,2s,3s)-6-isopropylidene-2-[(2-ketochromen-7-yl)oxymethyl]-2,3-dimethyl-cyclohexyl]propionic acid
  • galbanic acid
CAS Number(s)
  • 3566-55-0
InChIKey CVWWNYPTZYQCSE-GANZUKCXSA-N
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