BMRB

Biological Magnetic Resonance Data Bank


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

(S)-(-)-perillic Acid

(S)-(-)-perillic Acid bmse000698 - Data

S_perillic_acid synonyms

4-Isopropenylcyclohexene-1-carboxylic acid; (S)-( )-Perillic acid; Lopac-P-7083; (S)-(-)-Perillic acid

Wikipedia:

Graphical representations:

s_perillic_acid

View large 3D structure

Molecular Formula: C10H14O2

Natural Isotopic Abundance Mass: 166.21696

Mono-Isotopic Molecular Masses:

  • C12N14: 166.0993796936
  • C13N14: 176.1329280716
  • C12N15: 166.0993796936
  • C13N15: 176.1329280716

InChI string: InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8-/m1/s1

PubChem Compound (CID): 2724160
Sigma-Aldrich: 218359_ALDRICH
MLSMR: MLS002153221
ChemSpider: 2006319
NCGC: NCGC00015832-01
MMCD: cq_08498
MDL: MFCD00062539

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)