Methyl Hydrogen 6,6'-Diapocarotene-6,6'-Dioate

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Properties Simple | Detailed

Formula C25H30O4
IUPAC Name (2e,4e,6e,8e,10e,12e,14e,16e,18e)-20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
Molecular Mass 394.503 g·mol−1
Heat of Formation -381.5 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 527.13 Å 3
Surface Area 502.01 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-20-keto-20-methoxy-4,8,13,17-tetramethyl-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • 20-keto-20-methoxy-4,8,13,17-tetramethyl-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • 20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • 20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
  • lmpr01070210
CAS Number(s)
  • 39937-23-0
InChIKey RAFGELQLHMBRHD-IFNPSABLSA-N
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