Analyte Name

Pyropheophytin a

CAS Number

14409-87-1

Molecular Formula

C53H72N4O3

Molecular Weight

813.18

Accurate Mass

812.56

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/COC(CC[C@@H]1/C2=C3C4=C(C(C)=C(/C=C5C(CC)=C(C(/C=C6N/C(C(C)=C\6C=C)=C\C([C@H]1C)=N2)=N/5)C)N4)C(C/3)=O)=O

InChI

InChI=1S/C53H72N4O3/c1-12-39-35(8)43-28-45-37(10)41(23-24-50(59)60-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(56-45)42-27-49(58)51-38(11)46(57-53(42)51)30-48-40(13-2)36(9)44(55-48)29-47(39)54-43/h12,25,28-33,37,41,54,57H,1,13-24,26-27H2,2-11H3/b34-25+,43-28-,44-29-,45-28-,46-30-,47-29-,48-30-,52-42-/t32-,33-,37+,41+/m1/s1

Country of Origin

CANADA

Product Format

Neat