rel-(2E)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one

CAS Registry Number®

71048-82-3

CAS Name

rel-(2E)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one

Molecular Formula

C13H20O

Molecular Mass

192.30

Cite this Page

rel-(2E)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71048-82-3 (retrieved 2024-12-28) (CAS RN: 71048-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+/t10-,12-/s2

InChIKey

InChIKey=XEJGJTYRUWUFFD-PKNYDZFHNA-N

SMILES

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

Canonical SMILES

O=C(C=CC)C1C(C=CCC1(C)C)C

Other Names for this Substance

  • 2-Buten-1-one, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, [1α(E),2β]-
  • rel-(2E)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one
  • δ-Damascone, trans,trans-
  • trans,trans-δ-Damascone

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