(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-Isopropyl-3,7-Dimethyl-3,7-Cyclodecadien-1-Yl 4-Hydroxy-3-Methoxybenzoate

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Properties Simple | Detailed

Formula C23H32O5
IUPAC Name [(1s,3z,7z,9s,10s)-9-hydroxy-10-isopropyl-3,7-dimethyl-cyclodeca-3,7-dien-1-yl] 4-hydroxy-3-methoxy-benzoate
Molecular Mass 388.497 g·mol−1
Heat of Formation -888.8 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 492.36 Å 3
Surface Area 377.17 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-3-methoxy-benzoic acid [(1s,3z,7z,9s,10s)-9-hydroxy-10-isopropyl-3,7-dimethyl-1-cyclodeca-3,7-dienyl] ester
  • 4-hydroxy-3-methoxybenzoic acid [(1s,3z,7z,9s,10s)-9-hydroxy-10-isopropyl-3,7-dimethyl-1-cyclodeca-3,7-dienyl] ester
  • [(1s,3z,7z,9s,10s)-9-hydroxy-10-isopropyl-3,7-dimethyl-1-cyclodeca-3,7-dienyl] 4-hydroxy-3-methoxy-benzoate
  • [(1s,3z,7z,9s,10s)-9-hydroxy-3,7-dimethyl-10-propan-2-yl-1-cyclodeca-3,7-dienyl] 4-hydroxy-3-methoxy-benzoate
  • [(1s,3z,7z,9s,10s)-9-hydroxy-3,7-dimethyl-10-propan-2-yl-1-cyclodeca-3,7-dienyl] 4-hydroxy-3-methoxybenzoate
  • benzoic acid, 4-hydroxy-3-methoxy-, (1s,3e,7e,9s,10s)-9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester
  • benzoic acid, 4-hydroxy-3-methoxy-, 9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester, (1s-(1r*,3e,7e,9r*,10r*))-
  • tschimganidin
CAS Number(s)
  • 39380-16-0
InChIKey OLJDCWYDXLXFJK-KVJUXVSCSA-N
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