BMRB

Biological Magnetic Resonance Data Bank


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

(R)-(-)-Pantolactone

(R)-(-)-Pantolactone bmse000381 - Data

(R)-(-)-Pantolactone synonyms

Pantoic acid gamma-lactone; (3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone; (R)-Pantoyl lactone; (R)-Pantolactone

Wikipedia:

Graphical representations:

(R)-(-)-Pantolactone

View large 3D structure

Molecular Formula: C6H10O3

Natural Isotopic Abundance Mass: 130.1418

Mono-Isotopic Molecular Masses:

  • C12N14: 130.0629941873
  • C13N14: 136.0831232141
  • C12N15: 130.0629941873
  • C13N15: 136.0831232141

InChI string: InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1

PubChem Compound (CID): 439368
CAS Registry number: 599-04-2
Sigma-Aldrich: 237817_ALDRICH
ChemSpider: 388488
NMRShiftDB: 20055544
KEGG Compound ID: C01012
ZINC: ZINC00155364

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)