PGE3

CAS Registry Number®

802-31-3
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CAS Name

PGE3

Molecular Formula

C20H30O5

Molecular Mass

350.45

Cite this Page

PGE3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=802-31-3 (retrieved 2024-04-26) (CAS RN: 802-31-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84.5-85.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1

InChIKey

InChIKey=CBOMORHDRONZRN-QLOYDKTKSA-N

SMILES

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

Canonical SMILES

O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)CC=CCC

Other Names for this Substance

  • Prosta-5,13,17-trien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,11α,13E,15S,17Z)-
  • 5-Heptenoic acid, 7-[3-hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-, stereoisomer
  • (5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid
  • PGE3
  • Prostaglandin E3

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