BMRB

Biological Magnetic Resonance Data Bank


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

Eucalyptol

Graphical representations:

eucalyptol 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 and isomeric SMILES: CC1(C2CCC(O1)(CC2)C)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

PubChem Substance (SID):   85165304   37913855   588127
PubChem Compound (CID):   2758
KEGG: Compound ID   D04115
CAS Registry IDs:   8024-53-1   8024-52-0   10458-11-4   470-82-6
PDB Chemical Component   CNL
Miscellaneous Databases and IDs:   Sigma-Aldrich C80601_ALDRICH   ChEBI CHEBI:27961   HSDB 991   ChemIDplus 000470826   ChemSpider 13885235   MMDB 32734.4   EINECS 207-431-5   CCRIS 3727   NMRShiftDB 10008910   NIAID 014671   DTP/NCI 6171   EPA DSSTox 32769   ZINC ZINC00967566   NINDS Approved Drug Screening Program 01500294   DrugBank DB03852   ChemDB 3966024   NCGC NCGC00178671-01   NIST Chemistry WebBook 1151014208   MMCD cq_06514   MDL MFCD00167977

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.