phylloerythrin

The CAS register number of 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- is 26359-43-3. It also can be called as Phylloerythrin and the systematic name about this chemical is 3-(9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-24,25-dihydrophorbin-3-yl)propanoic acid. The molecular formula about this chemical is C₃₃H₃₄N₄O₃ and the molecular weight is 534.65796.

Physical properties about 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 79.01 Å²; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 149.51 cm³; (9)Molar Volume: 399.9 cm³; (10)Polarizability: 59.27x10^-24cm³; (11)Surface Tension: 72.4 dyne/cm; (12)Density: 1.33 g/cm³; (13)Flash Point: 625.6 °C; (14)Enthalpy of Vaporization: 171.11 kJ/mol; (15)Boiling Point: 1110.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC=6c2nc(cc5c(c(c(cc1c(c(c(n1)cc\3nc4c2CC(=O)\C4=C/3C)CC)C)n5)CC)C)C=6C
(2)InChI: InChI=1/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h12-14,34-35H,7-11H2,1-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-
(3)InChIKey: USUXZIXOWFMLFE-KCRGODDBBQ
(4)Std. InChI: InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h12-14,34-35H,7-11H2,1-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-
(5)Std. InChIKey: USUXZIXOWFMLFE-KCRGODDBSA-N