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Substance Name: Phellophyll a
RN: 51744-55-9
InChIKey: SGUQWKYGOWMJHB-NXMWDSTHSA-N

Molecular Formula

  • C34-H34-N4-O5

Molecular Weight

  • 578.666
 
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Names and Synonyms

Results Name

  • Phellophyll a

Synonyms

  • Phellophyll a
  • Purpurin-18 methyl ester
  • Purpurine 18a, methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51744-55-9

Other Registry Numbers

  • 10209-52-6
  • 291293-57-7
  • 5111-07-9
  • 75149-88-1

System Generated Number

  • 0051744559

Structure Descriptors

InChI

1S/C34H34N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(39)42-7)31(37-24)30-32-29(33(40)43-34(30)41)18(6)25(38-32)14-27-20(9-2)16(4)23(36-27)13-26(19)35-22/h8,12-14,17,35,37-38H,1,9-11H2,2-7H3/b23-13-,24-12-,25-14-/t17-/m0/s1

InChIKey

SGUQWKYGOWMJHB-NXMWDSTHSA-N

Smiles

c1(c2=c3[nH]c(cc4C(CC)=C(c(n4)cc4[nH]c(c(C)c4C=C)cc4[C@H](C(=c2[nH]4)CCC(OC)=O)C)C)c(c3c(o1)=O)C)=O