| SpectraBase Spectrum ID |
AAcU9vUsqhM |
| Name |
(2S,3S)-1-[(1R,2S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.256274254 u |
| Formula |
C24H36O5 |
| InChI |
InChI=1S/C24H36O5/c1-7-18(21(25)28-6)24(5,27)22(26)29-20-15-16(2)13-14-19(20)23(3,4)17-11-9-8-10-12-17/h8-12,16,18-20,27H,7,13-15H2,1-6H3/t16-,18-,19-,20-,24+/m1/s1 |
| InChIKey |
VCKOZFBWAWZSET-DQDQTZLSSA-N |
| Molecular Weight |
404.547 g/mol |
| SMILES |
C([C@]([C@@](C(=O)OC)(CC)[H])(O)C)(O[C@]1([C@](C(C2=CC=CC=C2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O |
![(2S,3S)-1-[(1R,2S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate](/api/spectrum/AAcU9vUsqhM/structure.png?h=300&w=458 "(2S,3S)-1-[(1R,2S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate")
