U 46619

CAS Registry Number®

56985-40-1

CAS Name

U 46619

Molecular Formula

C21H34O4

Molecular Mass

350.49

Cite this Page

U 46619.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56985-40-1 (retrieved 2024-11-23) (CAS RN: 56985-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H34O4/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/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1

InChIKey

InChIKey=LQANGKSBLPMBTJ-BRSNVKEHSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)-
  • 5-Heptenoic acid, 7-[6-(3-hydroxy-1-octenyl)-2-oxabicyclo[2.2.1]hept-5-yl]-, [1R-[1α,4α,5β(Z),6α(1E,3S*)]]-
  • 5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxy-1-octenyl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)-
  • 2-Oxabicyclo[2.2.1]heptane, 5-heptenoic acid deriv.
  • (5Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid

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