BMRB

Biological Magnetic Resonance Data Bank


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

(+)-Limonene Oxide

Graphical representations:

(+)-Limonene oxide image

Molecular Formula: C10 H16 O

Natural Isotopic Abundance Mass: 152.23344

Mono-Isotopic Molecular Masses:

  • C12N14: 152.1201151357
  • C13N14: 162.1536635137
  • C12N15: 152.1201151357
  • C13N15: 162.1536635137

InCHi String: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1

canonical SMILES: CC(=C)C1CCC2(C(C1)O2)C

isomeric SMILES: CC(=C)[C@@H]1CCC2(C(C1)O2)C

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(3R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane

PUBCHEM iupac CAS NAME
(3R)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane

PubChem Substance (SID):   144080964   14717785   74382162
PubChem Compound (CID):   441245
KEGG: Compound ID   C07271
CAS Registry IDs:   1195-92-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 203719-54-4   MMCD cq_04288   Sigma-Aldrich 218324_ALDRICH   ChEBI CHEBI:35672   LipidMAPS LMPR0102090015

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.