Molecular Structure of Pyropheophorbide-alpha (CAS No.24533-72-0):

Molecular Formula: C₃₃H₃₄N₄O₃ 
Molecular Weight: 534.6481
CAS No: 24533-72-0
Systematic Name: 3-[(3S,4S)-9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid
Product Categories: Porphyrins
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 111.73 Å²
Index of Refraction: 1.643
Molar Refractivity: 153.506 cm³
Molar Volume: 424.56 cm³
Surface Tension: 58.006 dyne/cm
Density: 1.259 g/cm³
Flash Point: 562.426 °C
Enthalpy of Vaporization: 153.857 kJ/mol
Boiling Point: 1006.359 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
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/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
InChIKey: IEGUQQKIFBYXLG-CDIXLCFRBR
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/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
Std. InChIKey: IEGUQQKIFBYXLG-CDIXLCFRSA-N

  Pyropheophorbide-alpha (CAS No.24533-72-0), its synonyms are 3-[(3S,4S)-14-Ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid ; 3-[(3S,4S)-9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid ; 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)- ; 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S-trans)- ; (3S-trans)-9-Ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid  .