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Substance Name: 13,14-Didehydro-20-methylcarboprostacyclin
RN: 78542-68-4
InChIKey: COTOHBYFKOEMEU-PDWIHATRSA-N

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.5066
 
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Names and Synonyms

Name of Substance

  • 13,14-Didehydro-20-methylcarboprostacyclin

Synonyms

  • 13,14-Didehydro-20-methylcarbo-pgi2
  • 13,14-Didehydro-20-methylcarboprostacyclin
  • Fce 22176
  • Fce 22509
  • Fce-21292

Systematic Name

  • Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-1-nonynyl)-2(1H)-pentalenylidene)-, (3aS-(2E,3aalpha,4alpha(R*),5beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 78542-68-4

System Generated Number

  • 0078542684

Structure Descriptors

InChI

1S/C22H34O4/c1-2-3-4-5-9-18(23)11-12-19-20-14-16(8-6-7-10-22(25)26)13-17(20)15-21(19)24/h8,17-21,23-24H,2-7,9-10,13-15H2,1H3,(H,25,26)/b16-8+/t17-,18-,19+,20-,21+/m0/s1

InChIKey

COTOHBYFKOEMEU-PDWIHATRSA-N

Smiles

CCCCCC[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O