(5Z)-7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid

CAS Registry Number®

946602-01-3
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CAS Name

(5Z)-7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid

Molecular Formula

C21H32O4

Molecular Mass

348.48

Cite this Page

(5Z)-7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=946602-01-3 (retrieved 2024-07-24) (CAS RN: 946602-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h3-4,6-7,12-13,16-20,22H,2,5,8-11,14-15H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1

InChIKey

InChIKey=XXHSKVZXPIQTFH-QMKAFUJPSA-N

SMILES

C(/C=C\CCCC(O)=O)[C@@H]1[C@@H](/C=C/[C@H](C/C=C\CC)O)[C@]2(C[C@@]1(CO2)[H])[H]

Canonical SMILES

O=C(O)CCCC=CCC1C(C=CC(O)CC=CCC)C2OCC1C2

Other Names for this Substance

  • 5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)-
  • (5Z)-7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid