| SpectraBase Spectrum ID |
3Dm9qxqYiop |
| Name |
(R)-(-)-Pantolactone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
599-04-2 |
| ChEBI ID |
16719 |
| Comments |
100 mM (R)-(-)-Pantolactone - Aldrich 237817
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6 H10 O3 |
| IUPAC Name |
(3R)-3-hydroxy-4,4-dimethyloxolan-2-one; (3R)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one; (3R)-3-hydroxy-4,4-dimethyl-2-tetrahydrofuranone; (3R)-3-hydroxy-4,4-dimethyl-oxolan-2-one |
| InChI |
InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1 |
| InChIKey |
SERHXTVXHNVDKA-BYPYZUCNSA-N |
| KEGG Compound ID |
C01012 |
| PubChem Compound ID |
439368 |
| SMILES |
CC1(COC(=O)C1O)C; CC1(COC(=O)[C@@H]1O)C |
| Source File Reference |
bmse000381 |
