BMRB

Biological Magnetic Resonance Data Bank


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

(R)-(-)-Carvone

Graphical representations:

(R)-(-)-Carvone image

Molecular Formula: C10 H14 O

Natural Isotopic Abundance Mass: 150.21756

Mono-Isotopic Molecular Masses:

  • C12N14: 150.1044650715
  • C13N14: 160.1380134495
  • C12N15: 150.1044650715
  • C13N15: 160.1380134495

InCHi String:

canonical SMILES: CC1=CCC(CC1=O)C(=C)C

isomeric SMILES: CC1=CC[C@H](CC1=O)C(=C)C

PUBCHEM iupac NAME
(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one

PUBCHEM iupac CAS NAME
(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone

PUBCHEM iupac SYSTEMATIC NAME
(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one

PubChem Substance (SID):   85165282   24847635   1492208
PubChem Compound (CID):   439570
KEGG: Compound ID   C01767
CAS Registry IDs:   99-49-0   6485-40-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 124931_ALDRICH   LipidMAPS LMPR01020026   ZINC ZINC00967795   ChemSpider 388655   NMRShiftDB 10008722   MMCD cq_01139   MDL MFCD00001578

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.