71-hydroxychlorophyll a
public_id
FDB030629
IUPAC 名称
14-ethenyl-19-ethyl-18-(hydroxymethyl)-5-(methoxycarbonyl)-9,13,25-trimethyl-4-oxo-8-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1³,²².1⁷,¹⁰.1¹⁷,²⁰.0²,⁶.0¹⁵,²⁴]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide
描述
71-hydroxychlorophyll a is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 71-hydroxychlorophyll a can be found in a number of food items such as cloudberry, agave, sweet orange, and mandarin orange (clementine, tangerine), which makes 71-hydroxychlorophyll a a potential biomarker for the consumption of these food products.
CAS号
异构
CCC1=C(CO)C2=CC3=C(C=C)C(C)=C4C=C5N=C(C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5C)C5=C6N([Mg]N34)C(=CC1=N2)C(C)=C6C(=O)[C-]5C(=O)OC
InChI标识符
InChI=1S/C55H72N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-2;+2/p-1
GTDBMSHAERJYQW-UHFFFAOYSA-M
平均分子量
907.5229513
id
30792
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