(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one

CAS Registry Number®

50889-48-0
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CAS Name

(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one

Molecular Formula

C22H24F2O5

Molecular Mass

406.42

Cite this Page

(3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50889-48-0 (retrieved 2024-09-08) (CAS RN: 50889-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H24F2O5/c1-2-3-11-22(23,24)19(25)10-9-15-16-12-20(26)28-18(16)13-17(15)29-21(27)14-7-5-4-6-8-14/h4-10,15-18H,2-3,11-13H2,1H3/b10-9+/t15-,16-,17-,18+/m1/s1

InChIKey

InChIKey=BEVKTMCEJWZGBD-SMPHTAIGSA-N

SMILES

C(=C/C(C(CCCC)(F)F)=O)\[C@@H]1[C@@]2([C@](C[C@H]1OC(=O)C3=CC=CC=C3)(OC(=O)C2)[H])[H]

Canonical SMILES

O=C(OC1CC2OC(=O)CC2C1C=CC(=O)C(F)(F)CCCC)C=3C=CC=CC3

Other Names for this Substance

  • 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-, (3aR,4R,5R,6aS)-
  • 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)-4-(4,4-difluoro-3-oxo-1-octenyl)hexahydro-, [3aR-[3aα,4α(E),5β,6aα]]-
  • (3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one
  • (3aR,4R,5R,6aS)-4-((E)-4,4-Difluoro-3-oxooct-1-enyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate

Deleted or Replaced CAS Registry Numbers

56291-23-7, 56613-89-9