Biological Magnetic Resonance Data Bank

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

(s)-(-)-perillyl Alcohol

Graphical representations:


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Molecular Formula: C10H16O

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/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1

PubChem Compound (CID): 369312
CAS Registry number: 536-59-4 18457-55-1
Sigma-Aldrich: 77311_FLUKA
ChEBI: CHEBI:10782
ChemBank: NCI60_013758
ChemSpider: 327861
NMRShiftDB: 20055161
DTP/NCI: 641066
LipidMAPS: LMPR01020028
ZINC: ZINC03861538
KEGG Compound ID: C02452
MMCD: cq_01514
MDL: MFCD00062995

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,