BMRB

Biological Magnetic Resonance Data Bank


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

Myrtenol

Graphical representations:

myrtenol 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/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol

PubChem Substance (SID):   85165335   10532326   6572903
PubChem Compound (CID):   10582
KEGG: Compound ID   C11938
CAS Registry IDs:   111957-74-5   19250-18-1   6712-78-3   515-00-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W343900_ALDRICH   ChemIDplus 006712783   ChemSpider 14345215   EINECS 208-193-5   DTP/NCI 408846   LipidMAPS LMPR01020091   UM-BBD c0630   ChemDB 6681870   NIST Chemistry WebBook 1377020265   MMCD cq_08512   MDL MFCD00001341

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.