Bacteriopheophytin
[CAS# 17453-58-6]

Identification

• Name: Bacteriopheophytin
• Synonyms: 3-Phorbinepropanoic Acid, 9-Acetyl-14-Ethyl-13,14-Dihydro-21-(Methoxycarbonyl)-4,8,13,18-Tetramethyl-20-Oxo-, (2E,7R,11R)-3,7,11,15-Tetramethyl-2-Hexadecenyl Ester, (3S,4S,13R,14R,21R)-; 3-Phorbinepropanoic Acid, 9-Acetyl-14-Ethyl-13,14-Dihydro-21-(Methoxycarbonyl)-4,8,13,18-Tetramethyl-20-Oxo-, 3,7,11,15-Tetramethyl-2-Hexadecenyl Ester, (3S-(3Alpha(2E,7S*,11S*),4Beta,13Beta,14Alpha,21Beta))-; Bacteriopheophytin B
• Molecular Formula: C₅₅H₇₆N₄O₆
• Molecular Weight: 889.23
• CAS Registry Number: 17453-58-6
• SMILES: [C@H]6(C2=C5[NH]C(=CC4=NC(=CC1=C(C(=C([NH]1)C=C3N=C2[C@H]([C@@H]3C)CCC(OC\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)=O)C)C(=O)C)[C@@H]([C@H]4CC)C)C(=C5C6=O)C)C(OC)=O
• InChI: 1S/C55H76N4O6/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/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29?,42-27?,43-27?,44-28?,45-28?,46-29?,52-50?/t31-,32-,34-,35+,39-,40+,51-/m1/s1
• InChIKey: KWOZSBGNAHVCKG-WFDCHTCOSA-N