CAS:15664-29-6 | Pheophorbide A
Synonyms:
3-phorbinepropanoicacid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tet;[3S-(3alpha,4beta,21beta)]-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid;(3S,4S)-9-Ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid;13-Epi-phaeophorbide-a;3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-;Inchi=1/C35H36N4o5/C1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/H8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/B22-12-,23-13-,24-12-,25-14-,26-13-,27-14-;Rel-3-[(3R,4R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid;pheophorbide a AldrichCPR
Canonical SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)O)C4=N3)C(=O)OC)C
Density:1.282±0.06g/cm3(Predicted)
Boiling Point:1019.0±65.0°C(Predicted)
Melting Point: 191-195°C
Storage: -20°C
Hazard Codes: Xi
Risk Statements: R36/37/38