1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:05 UTC FDB012561 Pyropheophytin b Constituent of various plants including spinach. Pyropheophytin b is found in green vegetables. Pyropheophytin b C53H70N4O4 827.1473 826.539706748 (2Z)-3,5,7,11-tetramethylhexadec-2-en-1-yl 3-{16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl}propanoate (2Z)-3,5,7,11-tetramethylhexadec-2-en-1-yl 3-{16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl}propanoate 77331-75-0 CCCCCC(C)CCCC(C)CC(C)C\C(C)=C/COC(=O)CCC1C(C)C2=N\C\1=C1\CC(=O)C3=C1NC(\C=C1/N=C(/C=C4\N/C(=C\2)C(C)=C4C=C)C(C=O)=C1CC)=C3C InChI=1S/C53H70N4O4/c1-11-14-15-17-31(4)18-16-19-32(5)24-34(7)25-33(6)22-23-61-50(60)21-20-40-36(9)44-27-43-35(8)38(12-2)46(54-43)29-48-42(30-58)39(13-3)47(55-48)28-45-37(10)51-49(59)26-41(52(40)56-44)53(51)57-45/h12,22,27-32,34,36,40,54,57H,2,11,13-21,23-26H2,1,3-10H3/b33-22-,43-27-,44-27-,45-28-,46-29-,47-28-,48-29-,52-41- VLMUKTSQARJLRE-QBURMFOASA-N logp 8.54 ALOGPS logs -6.56 ALOGPS solubility 2.28e-04 g/l ALOGPS logp 14.05 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic 4.5 ChemAxon iupac (2Z)-3,5,7,11-tetramethylhexadec-2-en-1-yl 3-{16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl}propanoate ChemAxon average_mass 827.1473 ChemAxon mono_mass 826.539706748 ChemAxon smiles CCCCCC(C)CCCC(C)CC(C)C\C(C)=C/COC(=O)CCC1C(C)C2=N\C\1=C1\CC(=O)C3=C1NC(\C=C1/N=C(/C=C4\N/C(=C\2)C(C)=C4C=C)C(C=O)=C1CC)=C3C ChemAxon formula C53H70N4O4 ChemAxon inchi InChI=1S/C53H70N4O4/c1-11-14-15-17-31(4)18-16-19-32(5)24-34(7)25-33(6)22-23-61-50(60)21-20-40-36(9)44-27-43-35(8)38(12-2)46(54-43)29-48-42(30-58)39(13-3)47(55-48)28-45-37(10)51-49(59)26-41(52(40)56-44)53(51)57-45/h12,22,27-32,34,36,40,54,57H,2,11,13-21,23-26H2,1,3-10H3/b33-22-,43-27-,44-27-,45-28-,46-29-,47-28-,48-29-,52-41- ChemAxon inchikey VLMUKTSQARJLRE-QBURMFOASA-N ChemAxon polar_surface_area 117.8 ChemAxon refractivity 250.69 ChemAxon polarizability 102.36 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB34248 #<Reference:0x000055ce326369f0> Green vegetables Unknown generic