16-Phenyl-17,18,19,20-tetranorprostaglandin E2

CAS Registry Number®

38315-44-5

CAS Name

16-Phenyl-17,18,19,20-tetranorprostaglandin E2

Molecular Formula

C22H28O5

Molecular Mass

372.45

Cite this Page

16-Phenyl-17,18,19,20-tetranorprostaglandin E2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38315-44-5 (retrieved 2024-10-31) (CAS RN: 38315-44-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,21-/m1/s1

InChIKey

InChIKey=DXWJXQSQVUJRNS-YYWARMNLSA-N

SMILES

C(/C=C\CCCC(O)=O)[C@@H]1[C@@H](/C=C/[C@H](CC2=CC=CC=C2)O)[C@H](O)CC1=O

Canonical SMILES

O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)CC=2C=CC=CC2

Other Names for this Substance

  • 5-Heptenoic acid, 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-phenyl-1-buten-1-yl]-5-oxocyclopentyl]-, (5Z)-
  • 5-Heptenoic acid, 7-[3-hydroxy-2-(3-hydroxy-4-phenyl-1-butenyl)-5-oxocyclopentyl]-, [1R-[1α(Z),2β(1E,3S*),3α]]-
  • (5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-4-phenyl-1-buten-1-yl]-5-oxocyclopentyl]-5-heptenoic acid
  • 16-Phenyl-17,18,19,20-tetranorprostaglandin E2

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS