Bacteriochlorophyll
[CAS# 17499-98-8]

Identification

• Name: Bacteriochlorophyll
• Synonyms: Magnesium, (3,7,11,15-Tetramethyl-2-Hexadecenyl 9-Acetyl-14-Ethyl-13,14-Dihydro-21-(Methoxycarbonyl)-4,8,13,18-Tetramethyl-20-Oxo-3-Phorbinepropanoato(2-)-N23,N24,N25,N26)-, (Sp-4-2-(3S-(3Alpha(2E,7S*,11S*),4Beta,13Beta,14Alpha,21Beta)))-; Bacteriochlorophyll
• Molecular Formula: C₅₅H₇₄MgN₄O₆
• Molecular Weight: 911.52
• CAS Registry Number: 17499-98-8
• EINECS: 241-507-9
• SMILES: N1=C4C(=C2C1=C(C(C2=O)C(OC)=O)C6=NC(=CC3=C(C(=C([N-]3)C=C5[N-]C(=C4)C(C5C)CC)C(=O)C)C)C(C6CCC(OC\C=C(\CCCC(CCCC(CCCC(C)C)C)C)C)=O)C)C.[Mg++]
• InChI: 1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+
• InChIKey: DSJXIQQMORJERS-JBRJOJLESA-M