β-Atlantone

CAS Registry Number®

38331-79-2

CAS Name

β-Atlantone

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

β-Atlantone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38331-79-2 (retrieved 2024-12-04) (CAS RN: 38331-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3/t14-/m0/s1

InChIKey

InChIKey=LRDZCBICVMXPBB-AWEZNQCLSA-N

SMILES

C(CC(C=C(C)C)=O)(=C)[C@@H]1CCC(C)=CC1

Canonical SMILES

O=C(C=C(C)C)CC(=C)C1CC=C(C)CC1

Other Names for this Substance

  • 1,5-Heptadien-4-one, 6-methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-
  • 1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-
  • 6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-one
  • (+)-β-Atlantone
  • β-Atlantone

Deleted or Replaced CAS Registry Numbers

1406-64-0

CAS INSIGHTSTM
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