Methyl (3S,4S,13R,14R,21R)-9-Acetyl-14-Ethyl-4,8,13,18-Tetramethyl-20-Oxo-3-(3-Oxo-3-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-Hexadecen-1-Yl]Oxy}Propyl)-13,14,24,26-Tetrahydro-21-Phorbinecarboxylate

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Formula C55H78N4O6
IUPAC Name methyl (3s,4s,13r,14r,21r)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2e,7r,11r)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-13,14,24,26-tetrahydro-21-phorbinecarboxylate
Molecular Mass 891.231 g·mol−1
Heat of Formation -1166.2 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 1168.7 Å 3
Surface Area 944.2 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • bacteriopheophytin
  • bh1
InChIKey DHJJQDBRYIGLJP-URFYWZFGSA-N
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