BMRB

Biological Magnetic Resonance Data Bank


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

alpha_terpineol

Graphical representations:

alpha_terpineol 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: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1

canonical SMILES: CC1=CCC(CC1)C(C)(C)O

isomeric SMILES: CC1=CC[C@H](CC1)C(C)(C)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol

PUBCHEM iupac CAS NAME
2-[(1S)-4-methyl-1-cyclohex-3-enyl]-2-propanol

PubChem Substance (SID):   111677805   12055918   36886532
PubChem Compound (CID):   443162
KEGG: Compound ID   C11393
CAS Registry IDs:   98-55-5   10482-56-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 432628_ALDRICH   ChemSpider 391434   ChEBI CHEBI:128   ZINC ZINC00967595   MMCD cq_08031   MDL MFCD00075926

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.