bmse000963 (+)-Limonene oxide at BMRB

(+)-Limonene oxide

(+)-Limonene oxide; Limonene oxide; Limonene-1,2-epoxide; (4R)-Limonene-1,2-epoxide; (+)-Limonene oxide, mixture of cis and trans

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

(+)-Limonene oxide

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.