| SpectraBase Spectrum ID |
D6qLAPiUJiI |
| Name |
(S)-(-)-Perillyl alcohol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
536-59-4; 18457-55-1 |
| ChEBI ID |
10782 |
| Comments |
Saturated (s)-(-)-perillyl alcohol - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10 H16 O |
| IUPAC Name |
[(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol; [(4S)-4-isopropenyl-1-cyclohexenyl]methanol |
| InChI |
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 |
| InChIKey |
NDTYTMIUWGWIMO-SNVBAGLBSA-N |
| KEGG Compound ID |
C02452 |
| KEGG Pathways |
PATH: ko00902 Monoterpenoid biosynthesis
PATH: ko00903 Limonene and pinene degradation |
| PubChem Compound ID |
369312 |
| SMILES |
CC(=C)C1CCC(=CC1)CO; CC(=C)[C@H]1CCC(=CC1)CO |
| Source File Reference |
bmse000559 |
