Chlorophyll A'
[CAS# 22309-13-3]

Identification

• Name: Chlorophyll A'
• Synonyms: Magnesium, (3,7,11,15-Tetramethyl-2-Hexadecenyl 9-Ethenyl-14-Ethyl-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,21Alpha)))-
• Molecular Formula: C₅₅H₇₂MgN₄O₅
• Molecular Weight: 893.50
• CAS Registry Number: 22309-13-3
• SMILES: [N-]1C3=C(C(=C1C=C2N=C(C(C2C)CCC(OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)=O)C6=C5[N-]C(=CC4=NC(=C3)C(=C4CC)C)C(=C5C(=O)C6C(=O)OC)C)C)C=C.[Mg++]
• InChI: 1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+
• InChIKey: ATNHDLDRLWWWCB-WNRKZQPVSA-M

Properties

• Boiling point: 885.5°C at 760 mmHg (Cal.)
• Flash point: 489.4°C (Cal.)