For research use only. Not for therapeutic Use.
| Catalog Number | R012595 |
| CAS Number | 210980-68-0 |
| Synonyms | 2,2-Dimethylbutanoic Acid (1S,3R,7S,8S,8aR)-8-[2-[(2R)-3,6-Dihydro-6-oxo-2H-pyran?-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl Ester; |
| Molecular Formula | C25H36O4 |
| Purity | ≥95% |
| Target | Drug Metabolite |
| Storage | Room temperature |
| IUPAC Name | [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate |
| InChI | InChI=1S/C25H36O4/c1-6-25(4,5)24(27)29-21-15-16(2)14-18-11-10-17(3)20(23(18)21)13-12-19-8-7-9-22(26)28-19/h7,9-11,14,16-17,19-21,23H,6,8,12-13,15H2,1-5H3/t16-,17-,19-,20-,21-,23-/m0/s1 |
| InChIKey | BIYWBTKPNWCYHM-RLSQPJRHSA-N |
| SMILES | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC=CC(=O)O3)C |
