BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

L-menthone

Graphical representations:

L-menthone image

Molecular Formula: C10 H18 O

Natural Isotopic Abundance Mass: 154.24932

Mono-Isotopic Molecular Masses:

  • C12N14: 154.1357651999
  • C13N14: 164.1693135779
  • C12N15: 154.1357651999
  • C13N15: 164.1693135779

InCHi String:

canonical SMILES: CC1CCC(C(=O)C1)C(C)C

isomeric SMILES: C[C@@H]1CC[C@H](C(=O)C1)C(C)C

PUBCHEM iupac NAME
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-one

PUBCHEM iupac CAS NAME
(2S,5R)-2-isopropyl-5-methyl-1-cyclohexanone

PUBCHEM iupac SYSTEMATIC NAME
(2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one

PubChem Substance (SID):   85165169   17486467   29293290
PubChem Compound (CID):   26447
KEGG: Compound ID   C00843
CAS Registry IDs:   14073-97-3   21060-23-1   10458-14-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W266701_ALDRICH   ChEBI CHEBI:15410   ChemBank Spectrum_001299   ChemIDplus 014073973   ChemSpider 24636   EINECS 237-926-1   NMRShiftDB 20062595   NIAID 032329   CambridgeSoft Corporation 6172   Emory University Molecular Libraries Screening Center SPECTRUM300564   LipidMAPS LMPR01020019   ZINC ZINC00967796   UM-BBD c1067   MMCD cq_00574   MDL MFCD00001634

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.