| SpectraBase Spectrum ID |
1XLhqeUHMlg |
| Name |
(1S,2S,5R)-(+)-Neomenthol |
| Source of Sample |
Sigma Solvent: 100 % CDCl3, Reference: 0.5 % TMS pH n/a, temperature 298K Data Source: Madison Metabolomics Consortium |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
89-78-1; 15356-60-2 |
| ChEBI ID |
15402 |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10 H20 O |
| IUPAC Name |
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol; (1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol; (1S,2S,5R)-2-isopropyl-5-methyl-1-cyclohexanol; (1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol |
| InChI |
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| InChIKey |
NOOLISFMXDJSKH-UTLUCORTSA-N |
| KEGG Compound ID |
C00553 |
| KEGG Pathways |
PATH: ko00902 Monoterpenoid biosynthesis |
| PubChem Compound ID |
439263 |
| SMILES |
CC1CCC(C(C1)O)C(C)C; C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C |
| Source File Reference |
bmse000498 |
