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Substance Name: Chlorophyll a'
RN: 22309-13-3
InChIKey: ATNHDLDRLWWWCB-WNRKZQPVSA-M

Molecular Formula

  • C55-H72-Mg-N4-O5

Molecular Weight

  • 893.5018
 
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Names and Synonyms

Name of Substance

  • Chlorophyll a'

Systematic Name

  • 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)))-

Registry Numbers

CAS Registry Number

  • 22309-13-3

System Generated Number

  • 0022309133

Structure Descriptors

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

Smiles

CCC\1=C(c2/cc\3/c(c(/c(/[n-]3)c/c4n/c(c/5\c6c(c(c([n-]6)/cc1\n2)C)C(=O)C5C(=O)OC)/C(C4C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C.[Mg+2]