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Substance Name: Purpurin 18
RN: 25465-77-4
InChIKey: BJKHCHNVSUFKBF-HUNLNFSZSA-N

Note

  • Isolated from chlorophyll.

Molecular Formula

  • C33-H32-N4-O5

Molecular Weight

  • 564.639
 
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Names and Synonyms

Name of Substance

  • Purpurin 18

Synonyms

  • PP-18
  • Purpurin-18

Systematic Name

  • 21H,23H-Porphine-2,20-dicarboxylic acid, 18-(2-carboxyethyl)-12-ethenyl-7-ethyl-17,18-dihydro-3,8,13,17-tetramethyl-, cyclic 2,20-anhydride, (17S-trans)-

Registry Numbers

CAS Registry Number

  • 25465-77-4

System Generated Number

  • 0025465774

Structure Descriptors

InChI

1S/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,30-29+/t16-,20-/m0/s1

InChIKey

BJKHCHNVSUFKBF-HUNLNFSZSA-N

Smiles

c12c(c(c([nH]2)cc2nc(c3c4[nH]c(c(c4C(OC3=O)=O)C)cc3C(=C(c(n3)c1)C)CC)[C@H]([C@@H]2C)CCC(O)=O)C)C=C