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

Alpha_terpineol bmse000667 - Data

Alpha_terpineol synonyms

(S)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol; (S)-2-(4-Methyl-3-cyclohexenyl)-2-propanol; alpha-Terpineol; (1S)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; (4S)-p-menth-1-en-8-ol; (-)-alpha-Terpineol; (L)-alpha-Terpineol; (S)-p-Menth-1-en-8-ol; (S)-(-)-p-menth-1-en-8-ol

Wikipedia:

Graphical representations:

alpha_terpineol

View large 3D structure

Molecular Formula: C10H18O

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

PubChem Compound (CID): 443162
CAS Registry number: 98-55-5 10482-56-1
Sigma-Aldrich: 432628_ALDRICH
ChemSpider: 391434
ChEBI: CHEBI:128
KEGG Compound ID: C11393
ZINC: ZINC00967595
MMCD: cq_08031
MDL: MFCD00075926

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)