Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, methyl ester, (3S,4S)-
RN: 6453-67-4
InChIKey: MLOXNXGGLSORBO-SAYYDBDWSA-N

Molecular Formula

  • C34-H36-N4-O3

Molecular Weight

  • 548.683
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, methyl ester, (3S,4S)-
  • Pyrophaeophorbide-a-monomethyl ester

Registry Numbers

CAS Registry Number

  • 6453-67-4

System Generated Number

  • 0006453674

Structure Descriptors

InChI

1S/C34H36N4O3/c1-7-21-17(3)27-16-30-22(8-2)18(4)26(37-30)15-28-19(5)23(10-9-11-32(40)41-6)33(38-28)25-14-31(39)24-12-20(35-34(24)25)13-29(21)36-27/h8,12-13,15-16,19,23,35,37H,2,7,9-11,14H2,1,3-6H3/b20-13-,26-15-,27-16-,28-15-,29-13-,30-16-,33-25-

InChIKey

MLOXNXGGLSORBO-SAYYDBDWSA-N

Smiles

c12c3c(cc([nH]3)cc3nc(C(=C3CC)C)cc3[nH]c(cc4nc1[C@@H]([C@@H]4C)CCCC(=O)OC)c(c3C=C)C)C(C2)=O