BMRB

Biological Magnetic Resonance Data Bank


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

(1R)-(-)-myrtenal

Graphical representations:

(1R)-(-)-myrtenal 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: InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3

canonical and isomeric SMILES: CC1(C2CC=C(C1C2)C=O)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde

PUBCHEM iupac CAS NAME
7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde

PubChem Substance (SID):   85165315   24853054   10527497
PubChem Compound (CID):   61130
KEGG: Compound ID   C11939
CAS Registry IDs:   564-94-3   57526-63-3   23727-16-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 218243_ALDRICH   LipidMAPS LMPR01020092   ChemIDplus 000564943   UM-BBD c0632   ChemSpider 11649942   EINECS 209-274-8   ChemDB 4581895   NIST Chemistry WebBook 298720437   DTP/NCI 54384   MMCD cq_08513   MDL MFCD00074768

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.