Methyl (3R,5S,6E)-3,5-Dihydroxy-9,9-Diphenyl-6,8-Nonadienoate

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Properties Simple | Detailed

Formula C22H24O4
IUPAC Name methyl (3r,5s,6e)-3,5-dihydroxy-9,9-diphenyl-nona-6,8-dienoate
Molecular Mass 352.424 g·mol−1
Heat of Formation -531.7 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 440.27 Å 3
Surface Area 351.15 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,6e)-3,5-dihydroxy-9,9-di(phenyl)nona-6,8-dienoic acid methyl ester
  • 3,5-dihydroxy-9,9-diphenyl-6,8-nonadienoate
  • 6,8-nonadienoic acid, 3,5-dihydroxy-9,9-diphenyl-, methyl ester, (r*,s*-(e))-(+-)-
  • cp 83101
  • cp-83101
  • methyl (3r,5s,6e)-3,5-dihydroxy-9,9-di(phenyl)nona-6,8-dienoate
CAS Number(s)
  • 130746-82-6
InChIKey NSZBOSJMBQKKKB-ZCBOBATRSA-N
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